![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy) carbon]-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) Aworan Afihan](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy) carbon]-L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] - (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 601.69 | - |
| Oju Ise (Asọtẹlẹ) | 914,2 ± 65,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,276 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 10.63 ± 0.46 | Pupọ Epo otutu: 25 °C |
SILES Canonical 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 Oruko miiran fun Ohun elo yii
N-[(9H-Fluoren-9-ylmethoxy) carbon] -L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI)
Spectra wa
1H NMR
13C NMR
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 809 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 912 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 923 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 924 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 924 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 924 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 924 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 922 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 903 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 750 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 4040 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 4620 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 4.206 ± 0.767 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 1,7 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.0 x 10-4 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.1 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-4 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 2.9 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.3 x 10-7 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 601.69 | ||
| pKa | 10.63 ± 0.46 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 0.13 ± 0.50 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 0 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,276 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 471,2 ± 3,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 15 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 7 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 18 | (1) ACD | |
| logP | 4.206 ± 0.767 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 601.69 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 172 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 914,2 ± 65,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 139,25 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 506,7 ± 34,3 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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