![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etiel-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etiel-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302 bevat beeld](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etiel-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 263.25 | - |
| Smeltpunt (eksperimenteel) | 177.1-178.3 ° C | - |
| Kookpunt (voorspel) | 666,6 ± 55,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,50 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 11,20 ± 0,20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Isomere glimlag c (c) [c@] 1 (o) c2 = c (c (= o) n3c (= c2) c (= o) cc3) coc1 = o
Duim
Inchi = 1s/c13h13no5/c1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17/H5,18H, 2-4,6H2,1H3/T13-/M0/S1
Inchi -sleutel
Igkwogmvaoyvsj-zdusscgksa-n
5 ander name vir hierdie stof
(4s) -4-etiel-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-F] indolizine-3,6,10 (4H) -trione (ACI); 1H-pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (s)-(zci); (4s) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] Indolizine-3,6,10 (4H) Trione; (4s) -4-etiel-4-
Hydroxy-7,8-dihydro-1H-pyrano [3,4-F] indolizine-3,6,10-trione; (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione
| Eiendom beskikbaar |
| Opties en verstrooi |
| Termies |
Opties en verstrooi
| Eiendom | Waarde | Toestand | Bron |
| Optiese roterende krag | +120.6 deg | C: 0,62 g/100 ml; Oplosmiddel: chloroform | (1) IC |
| Optiese roterende krag | +120.57 deg | C: 0,62 g/100 ml; Oplosmiddel: chloroform; Temp: 20 ° C | (2) IC |
| Optiese roterende krag | +119.57 deg | C: 1,0 g/100 ml; Oplosmiddel: chloroform; λ: 589,3 nm; Temp: 25 ° C | (3) Cas |
| Optiese roterende krag | +119.57 grade · ml/g · dm | C: 1,0 g/100 ml; Oplosmiddel: chloroform; λ: natrium d lyn; Temp: 25 ° C | (4) Cas |
| Optiese roterende krag | +117.6 deg | C: 0,56 g/100 ml; Oplosmiddel: chloroform; Temp: 23 ° C | (5) IC |
| Optiese roterende krag | +116.14 grade · ml/g · dm | C: 1,0 g/100 ml; Oplosmiddel: chloroform; λ: natrium d lyn; Temp: 26 ° C | (4) Cas |
| Optiese roterende krag | +96 deg | C: 0,40 g/100 ml; Temp: 21 ° C | (6) IC |
| Optiese roterende krag | +77.8 deg | C: 0,62 g/100 ml; Oplosmiddel: chloroform; λ: 589,3 nm; Temp: 25 ° C | (7) Cas |
(1) Terasawa, Hirofumi; Chemical & Pharmaceutical Bulletin, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Chemie - 'n Asiatiese tydskrif, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C .; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Termies
| Eiendom | Waarde | Toestand | Bron | |
| Smeltpunt | 183-185 ° C (dekomp) | (1) Cas | ||
| Smeltpunt | 177.1-178.3 ° C | (2) Cas | ||
| Smeltpunt | 176-177 ° C (dekomp) | (3) IC | ||
| Smeltpunt | 169-170 ° C | Oplosmiddel: | Etielasetaat | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C .; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
Spektra beskikbaar
1H NMR
Massa
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| KOC | 7.37 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 7.37 | Ph 7; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 7.37 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 7.33 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 6.94 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | -0.96 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 371 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 392 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 371 g/l | Ongebufferde water pH 5,53; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1.41 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron | |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 6; Temp: 25 ° C | (1) ACD | |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 7; Temp: 25 ° C | (1) ACD | |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 8; Temp: 25 ° C | (1) ACD | |
| Molêre oplosbaarheid | 1.41 mol/l | Ph 9; Temp: 25 ° C | (1) ACD | |
| Molêre oplosbaarheid | 1.49 mol/l | Ph 10; Temp: 25 ° C | (1) ACD | |
| Molêre oplosbaarheid | 1.41 mol/l | Ongebufferde water pH 5,53; Temp: 25 ° C | (1) ACD | |
| Molekulêre gewig | 263.25 | |||
| pka | 11,20 ± 0,20 | Die meeste suur temp: 25 ° C | (1) ACD | |
| pka | -2,24 ± 0,40 | Die meeste basiese temp: 25 ° C | (1) ACD | |
| Dampdruk | 1,29 x 10-20 | Torr | Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,50 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 174,8 ± 5,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 2 | (1) ACD | |
| H Acceptors | 6 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 7 | (1) ACD | |
| logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 263.25 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 83.9 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 666,6 ± 55,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 112,17 ± 6,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 357,0 ± 31,5 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
| Kode | Gevaarverklaring | Bron |
| H319 | Veroorsaak ernstige oogirritasie | European Chemical Agency (ECHA) Klassifikasie en etikettering Inventaris - Gemaakte klassifikasie en etikettering - Mees algemene kennisgewings, European Chemical Agency (ECHA) Inventaris en etikettering van inventaris - in kennis gestel van klassifikasie en etikettering - die ernstigste kennisgewings |
| H302 | Skadelik as dit ingesluk word | European Chemical Agency (ECHA) Klassifikasie en etikettering Inventaris - Gemaakte klassifikasie en etikettering - Mees algemene kennisgewings, European Chemical Agency (ECHA) Inventaris en etikettering van inventaris - in kennis gestel van klassifikasie en etikettering - die ernstigste kennisgewings |
Vertroulike besigheidsinligting: publiek
| Regulatoriese sinonieme | ||
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyranno (3,4-F) Indolizine-3,6,10 (4H) -trione | - | Frans |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyranno [3,4-F] Indolizine-3,6,10 (4H) -trione | - | Frans |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano (3,4-F) indolizin-3,6,10 (4H) -trion-trion | - | Deens, Duits |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano (3,4-F) Indolizine-3,6,10 (4H) -trion-trion | - | Nederlandse |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] indolizin-3,6,10 (4H) -trion-trion | - | Deens, Duits |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] Indolizine-3,6,10 (4H) -trion-trion | - | Nederlandse |
| (S) -4-etiel-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione | - | - |
| (S) -4-ETIL-4-Hidroxi-7,8-Dihidro-1H-Pirano (3,4-F) Indolizina-3,6,10 (4H) -triona | - | Portugees, Spaans |
| (S) -4-ETIL-4-Hidroxi-7,8-Dihidro-1H-Pirano [3,4-F] Indolizina-3,6,10 (4H) -triona | - | Portugees, Spaans |
| (S) -4-ETIL-4-IDROSSI-7,8-diidro-1H-pirano (3,4-F) indolizin-3,6,10 (4H) -trione | - | Italiaans |
| (S) -4-ETIL-4-IDROSSI-7,8-diidro-1H-pirano [3,4-F] Indolizin-3,6,10 (4H) -trione | - | Italiaans |
| (S) -4-etiel-4-hydroxi-7,8-dihydro-1H-pyrano (3,4-F) Indolizin-3,6,10 (4H) -trion-trion | - | Sweeds |
| (S) -4-etiel-4-hydroxi-7,8-dihydro-1H-pyrano [3,4-F] indolizin-3,6,10 (4H) -trion-trion | - | Sweeds |
| (S) -4-Wyyli-4-Hydroksi-7,8-dihydro-1H-pyrano (3,4-F) indolitsiini-3,6,10 (4H) -trioni | - | Fins |
| (S) -4-Wyyli-4-Hydroksi-7,8-dihydro-1H-Pyrano [3,4-F] indolitsiini-3,6,10 (4H) -trioni | - | Fins |
Besonderhede per land/internasionale en ander lyste
Harmoniseerde tariefkode: 293499 Land-/streekinligting beskikbaar
Samevatting van die Europese Unie
EU -vlae
EU Doeane -kode CN: 29349990
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