![C33H39N5O6 L-angithinamide, N-[(9H-fluoren-9-ylmethoxy) karboniel] -l-valyl-N5- (aminokarboniel) -n- [4- (hidroksimetiel) feniel]-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Angithinamide, N-[(9H-FLUOREN-9-ylmethoxy) karboniel] -L-valyl-N5- (aminokarboniel) -n- [4- (hidroksimetiel) fenyl]-(9ci, aci) bevat beeld](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-angithinamide, N-[(9H-fluoren-9-ylmethoxy) karboniel] -l-valyl-N5- (aminokarboniel) -n- [4- (hidroksimetiel) feniel]-(9ci, aci)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 601.69 | - |
| Kookpunt (voorspel) | 914,2 ± 65,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,276 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 10,63 ± 0,46 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) nc (c (= o) nc4 = cc = c (c = c4) co) cccnc (= o) n) c (c) c)
Isomere glimlag C (OC (n [c@h] (c (n [c@h] (c (nc1 = cc = c (co) c = c1) = o) cccnc (n) = o) = o) [c@h] (c) c) = o) c2c = 3c (c = 4c2 = cc = cc4) = cc = cc33
Duim
Inchi = 1S/C33H39N5O6/C1-20 (2) 29 (38-33 (43) 44-19-27-25-10-5-3-8-23 (25) 24-9-4-6-6-11-26 (24) 27) 31 (41) 37-28 (12-7-7-35- 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16-22/H3-6,8-11,13-16,20,27-29,39H, 7,12,17-19H2,1-2H3, (H, 36,40) (H, 37,41) (H, 38,43) (H3,34,3,3)
5,42)/t28-, 29-/m0/s1
Inchi -sleutel
Dalmazhdnfcdrp-vmprefpwsa-n
1 Ander naam vir hierdie stof
N-[(9h-fluoren-9-ylmethoxy) karboniel] -l-valyl-n5- (aminokarboniel) -n- [4- (hidroksimetiel) feniel] -l-boornitamied (ACI)
Spektra beskikbaar
1H NMR
13C NMR
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 809 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 912 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 923 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 924 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 924 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 924 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 924 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 922 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 903 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 750 | 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 | 4040 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 4550 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 4610 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 4620 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 4620 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 4620 | Ph 6; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 4620 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 4610 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 4510 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 3740 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 4.15 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 4.21 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 4.21 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 4.11 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 1,7 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,0 x 10-4 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2.1 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 2,9 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,3 x 10-7 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,5 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 601.69 | ||
| pka | 10,63 ± 0,46 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 0,13 ± 0,50 | Die meeste basiese temp: 25 ° C | (1) ACD |
| Dampdruk | 0 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 | 1,276 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 471,2 ± 3,0 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 | 15 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 7 | (1) ACD | |
| H Skenker/Acceptor Sum | 18 | (1) ACD | |
| logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 601.69 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 172 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 | 914,2 ± 65,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 139,25 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 506,7 ± 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
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