C38H37N3O8 Ko tii sọtọ
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 663.72 | - |
| iwuwo (Asọtẹlẹ) | 1.304 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 8.27± 0.10 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
ISOMERIC SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChi
InChi=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-) 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40) ,44,45)/t32-
,33+,34+/m0/s1
InChi Key
NZBGRVLZISPURB-LBFZIJHGSA-N
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Awọn ohun-ini ti o wa |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 5250 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5250 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5260 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5260 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5250 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5200 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 4720 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2460 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 466 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 96.9 | 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 | 16000 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 5.20 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 5.198 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 9.3 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-5 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.0 x 10-5 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-4 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-4 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,4 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-8 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.7 x 10-7 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-8 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Òṣuwọn Molikula | 663.72 | ||
| pKa | 8.27± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -1.66 ± 0.20 | Pupọ Ipilẹ 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 | 1.304 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 508,6 ± 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 | 13 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 3 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 5.198 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 663.72 |
(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 | 136 A2 | (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
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl- N- (2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi CAS NỌ.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′′ - [2-cyanoethyl N, N-bis (1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)