![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3AS, 9Ar)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3AS, 9Ar)- (9CI, ACI) Voorgestelde beeld](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3AS, 9Ar)- (9CI, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 542.58 | - |
| Kookpunt (voorspel) | 692,9 ± 65,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 12,51 ± 0,60 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c2oc3c (o) c (oc3n2c = c1c) coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c6
Isomeriese glimlag C (OC [C@H] 1O [C @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = cc = Cc = Cc = Cc = C.
Duim
Inchi = 1s/c31h30n2o7/c1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-20,21-9-13-23 (36-2) 14-10-8-21
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34H, 18H2,1-3H3/T25-, 26-, 27+, 29-/M1/S1
Inchi -sleutel
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Ander naam vir hierdie stof
(2R, 3R, 3AS, 9Ar) -2-[[Bis (4-methoxyphenyl) fenylmethoxy] metiel] -2,3,3a, 9a-tetrahydro-3-hydroxy-7-methyl-6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimin-in-6 (Acaazolo [3,2-A] pyrimin -in-6-ge-6 (Aciazolo [3,2-A] pyrimin-in-6 (Acaazolo)
Spektra beskikbaar
1H NMR
13C NMR
Massa
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 2800 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2800 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2790 | 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 | 10200 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 10200 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 10200 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 3,6 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,6 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 6,6 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,7 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,6 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 542.58 | ||
| pka | 12,51 ± 0,60 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | -4,38 ± 0,60 | Die meeste basiese temp: 25 ° C | (1) ACD |
| Dampdruk | 3,73 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 | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 404,9 ± 7,0 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 | 9 | (1) ACD | |
| H Acceptors | 9 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 10 | (1) ACD | |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 542.58 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 99.1 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 | 692,9 ± 65,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 106,61 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 372,8 ± 34,3 ° 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
![C39H37N5O7 adenosien, N-benzoyl-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′- O-metiel- (9ci, aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C20H31NO5 Heptanoësuur, 3- Hydroxy-5-metiel-4-[((fenielmethoxy) karboniel] amino]-, 1,1-dimetieletielester, [3R- (3R*, 4S*, 5S*)-(9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
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![C34H39N3O8 Sitidien, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O- (2-methox yethyl) -5-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C21H23N3O5 L-Angithine, N5- (Aminocarbonyl) -N2-[(9H-FLUOREN-9-ylmethoxy) carbonyl]-(9ci, aci)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)