C15H21N5O6 Guanosin, 2'-O-methyl-N- (2-methyl-1-oxopropyl) - (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 367.36 | - |
| Girma (An annabta) | 1.68± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric SMILES O (C) [C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[C@H](CO)[C@H]1O
InChi
InChi=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3)9(22)7(4-21)26-714,26-714,19h 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
InChi Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Wasu Sunaye na wannan Abu
2'-O-Methyl-N(2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2'-O- methylguanosin
Spectra akwai
1H NMR
13C NMR
Mass
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | 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 | 2.12 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 8.67 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 12.6 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 13.3 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 13.3 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 13.3 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 13.2 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 12.5 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.85 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.76 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | -1.26 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.65 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.49 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.47 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.46 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.46 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.47 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.49 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.69 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | -1.34 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | -0.464±0.636 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.55 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.84 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.96 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.4 g/l | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g/L | Ruwan da ba a buguwa pH 6.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.5 x 10-3 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 9.6 x 10-3 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.3 x 10-3 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.6 x 10-3 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-3 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-3 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 1.5 x 10-3 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-3 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.6 x 10-3 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.6 x 10-3 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 0.012 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-3 mol/L | Ruwan da ba a buguwa pH 6.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 367.36 | ||
| pKa | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 1.73± 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 | 1.68± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 217.6± 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 | 6 | (1) ACD | |
| H Masu karɓa | 11 | (1) ACD | |
| H Masu Ba da taimako | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| logP | -0.464±0.636 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 367.36 |
(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 | 147 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
Spectra akwai
13C NMR
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