C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-methoxyethyl) - (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 429.43 | - |
| Girma (An annabta) | 1.53± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 13.15± 0.70 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4
Isomeric SMILES O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O )C4=CC=CC=C4)N=CN3
InChi
InChi=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25-11-23-14-17(21-10-22- 18 (14)25)24-19 (28)12-5-3-2-4-6-12/h2-6,1 0-11,13,15-16,20,26-27H,7-9H2 ,1H3,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
InChi Key
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Wasu Sunaye na wannan Abu
N-Benzoyl-2'-O- (2-methoxyethyl) adenosine (ACI); N6-Benzoyl-2′-O-(2-methoxyethyl)adenosine
Spectra akwai
1H NMR
13C NMR
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 3.71 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 14.6 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 20.9 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 21.8 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 21.9 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 21.8 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 21.4 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 17.6 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 6.52 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.08 | 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 | 53.2 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 210 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 299 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 312 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 314 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 313 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 306 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 253 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 93.5 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 15.5 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 1.30 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 1.90 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.05 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.07 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.07 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.07 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 2.06 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 1.98 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 1.54 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 0.76 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 2.085± 0.689 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.030 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.17 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.0429 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.030 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.036 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.094 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.60 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.029 g/L | Ruwan da ba a buƙata ba pH 6.38; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 7.0 x 10-5 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.9 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.00 x 10-4 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.0 x 10-5 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.7 x 10-5 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.7 x 10-5 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.7 x 10-5 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 6.8 x 10-5 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 8.3 x 10-5 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.2 x 10-4 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.4 x 10-3 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.7 x 10-5 mol/L | Ruwan da ba a buƙata ba pH 6.38; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 429.43 | ||
| pKa | 13.15± 0.70 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 8.80± 0.10 | Mafi Asalin 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 | 1.53± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 280.3± 7.0 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 | 9 | (1) ACD | |
| H Masu karɓa | 11 | (1) ACD | |
| H Masu Ba da taimako | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 2.085± 0.689 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 429.43 |
(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 | 141 A2 | (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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