![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy) karbonyl]-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) Sawirka](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy) karbonyl]-L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl]- (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 601.69 | - |
| Barta karkarinta (La saadaaliyay) | 914.2± 65.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.276 ± 0.06 g / cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 10.63±0.46 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC
Isomeric SMILES C (OC(N[C@H](C(N[C@H])
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(41)37-28 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
Furaha InChi
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Magaca kale ee walaxdan
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4- (hydroxymethyl) phenyl]-L-ornithinamide (ACI)
Spectra waa la heli karaa
1H NMR
13C NMR
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| Kulul |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 809 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 912 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 923 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 924 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 924 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 924 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 924 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 922 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 903 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 750 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 4040 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 4620 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 4.206 ± 0.767 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 1.7 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.0 x 10-4 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.1 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-4 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 2.9 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.3 x 10-7 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 601.69 | ||
| pKa | 10.63±0.46 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | 0.13 ± 0.50 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 0 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.276 ± 0.06 g / cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 471.2 ± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 15 | (1) ACD | |
| H Aqbalayaasha | 11 | (1) ACD | |
| H Deeq-bixiyayaasha | 7 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 18 | (1) ACD | |
| logP | 4.206 ± 0.767 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 601.69 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 172 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kulul
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 914.2± 65.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 139.25± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 506.7± 34.3 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
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