![C33H39N5O6 L-Ornithinamide, 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) Hoton da aka Fitar](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] - (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 601.69 | - |
| Wurin tafasa (An annabta) | 914.2± 65.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.276± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 10.63± 0.46 | Mafi yawan zafin jiki: 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
Isomeric SMILES C (OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCCNC(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 Key
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Wani Sunan Wannan Abu
N-[(9H-Fluoren-9-ylmethoxy)carbonyl] -L-valyl-N5- (aminocarbonyl) - [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI)
Spectra akwai
1H NMR
13C NMR
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 809 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 912 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 923 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 924 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 924 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 924 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 924 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 922 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 903 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 750 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 4040 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4550 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4610 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4620 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4620 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4620 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 4620 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4610 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4510 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 3740 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.15 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.20 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.20 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.20 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.21 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.21 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.20 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.20 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.19 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.11 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 4.206± 0.767 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.7 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.1 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 2.9 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.3 x 10-7 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.5 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 601.69 | ||
| pKa | 10.63± 0.46 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 0.13 ± 0.50 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 0 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.276± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 471.2 ± 3.0 cm3 / mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 15 | (1) ACD | |
| H Masu karɓa | 11 | (1) ACD | |
| H Masu Ba da taimako | 7 | (1) ACD | |
| H Donor/Acceptor Sum | 18 | (1) ACD | |
| logP | 4.206± 0.767 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 601.69 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 172 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 914.2± 65.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 139.25± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 506.7± 34.3 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
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