C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 367.36 | - |
| Cufnaanta (La saadaaliyay) | 1.68±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta 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)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Furaha InChi
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Magacyo kale oo Walaxdan ah
2′-O-Methyl-N(2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosin
Spectra waa la heli karaa
1H NMR
13C NMR
Mass
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 2.12 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 12.5 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 0.55 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.5 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.84 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.59 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.59 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.96 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.55 g/L | Biyaha aan la daboolin pH 6.00; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.5 x 10-3 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-3 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-3 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-3 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.5 x 10-3 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-3 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-3 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 0.012 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol/L | Biyaha aan la daboolin pH 6.00; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 367.36 | ||
| pKa | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.68±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 217.6 ± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 6 | (1) ACD | |
| H Aqbalayaasha | 11 | (1) ACD | |
| H Deeq-bixiyayaasha | 4 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 15 | (1) ACD | |
| logP | -0.464±0.636 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 367.36 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 147 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
Spectra waa la heli karaa
13C NMR
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