![C33H39N5O6 L-ornithinamide, N-[(9h-fluoren-9-ilmethoxy) carbonyl] -l-Valyl-N5- (aminocarbonyl) -n- [4- (idroksimetil) fenil]-(9ci, Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C33H39N5O6 L-ornithinamide, N-[(9h-fluoren-9-ilmethoxy) carbonyl] -l-Valyl-N5- (aminocarbonyl) -n- [4- (idroksimetil) fenil]-(9ci, Aci)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 601.69 | - |
| Pwen bouyi (prevwa) | 914.2 ± 65.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.276 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 10.63 ± 0.46 | Pifò asid tanperati: 25 ° C |
Souri kanonyal 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
Isomeric 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 (
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 (12-7-17-3-2-) 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-ilmethoxy) carbonyl] -l-valyl-N5- (aminocarbonyl) -n- [4- (idroksimetil) fenil] -l-ornithinamide (ACI)
Spèktr ki disponib
1H NMR
13c NMR
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 809 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 912 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 923 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 924 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 924 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 924 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 924 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 922 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 903 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 750 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 4040 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 4550 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 4610 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 4620 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 4620 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 4620 | pH 6; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 4620 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 4610 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 4510 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 3740 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 4.15 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 4.20 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 4.20 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 4.20 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 4.21 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 4.21 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 4.20 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 4.20 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 4.19 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 4.11 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 4.206 ± 0.767 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.7 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.0 x 10-4 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.1 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 x 10-4 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 2.9 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.3 x 10-7 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.5 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.9 x 10-7 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 601.69 | ||
| pka | 10.63 ± 0.46 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 0.13 ± 0.50 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 0 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.276 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 471.2 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 15 | (1) ACD | |
| H akseptab | 11 | (1) ACD | |
| H donatè | 7 | (1) ACD | |
| H donatè/aksepte sòm | 18 | (1) ACD | |
| logp | 4.206 ± 0.767 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 601.69 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 172 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 914.2 ± 65.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 139.25 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 506.7 ± 34.3 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
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