![C33H39N5O6 L-ornitinamid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-ornitinamid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 601.69 | - |
| Pwen bouyi (Prevwa) | 914.2±65.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.276±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 10.63±0.46 | Tanperati ki pi asid: 25 °C |
Canonical SMILES 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
Isomerik SMILES 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=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35- 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
5,42)/t28-,29-/m0/s1
InChI kle
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Lòt Non pou sibstans sa a
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamid (ACI)
Spectre ki disponib
1H RMN
13C RMN
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 809 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 912 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 923 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 924 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 924 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 924 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 924 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 922 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 903 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 750 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 4040 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 4550 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 4610 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 4620 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 4620 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 4620 | pH 6;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 4620 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 4610 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 4510 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 3740 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | 4.15 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | 4.20 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | 4.20 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | 4.20 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | 4.21 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | 4.21 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | 4.20 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | 4.20 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | 4.19 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | 4.11 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 1.7 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.0 x 10-4 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.1 x 10-4 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 x 10-4 g/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 2.9 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.3 x 10-7 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.5 x 10-7 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.9 x 10-7 mol/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 601.69 | ||
| pKa | 10.63±0.46 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 0 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.276±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 471.2±3.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 15 | (1) ACD | |
| H Aseptè | 11 | (1) ACD | |
| H Donatè | 7 | (1) ACD | |
| H Sòm donatè/akseptè | 18 | (1) ACD | |
| logP | 4.206±0.767 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 601.69 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 172 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 914.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 139.25±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 506.7±34.3 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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