C15H21N5O6 Guanosine, 2′-O-methyl-N- (2-methyl-1-oxopropyl)- (9CI, ACI)
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 367.36 | - |
| Ukuxinana (Kuqikelelwe) | 1.68±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 9.16±0.20 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric IYANCOMA 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)26-15-1,4,4 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Isitshixo se-InchI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Amanye Amagama ale nto
2′-O-Methyl-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
ISpectra ekhoyo
1H NMR
13C NMR
IMisa
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumeneyo |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 2.12 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 12.5 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 0.55 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.5 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.84 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.59 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.55 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.55 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.55 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.55 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.59 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.96 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.55 g/L | Amanzi angaphazanyiswanga pH 6.00; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.5 x 10-3 mol / L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 9.6 x 10-3 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-3 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.6 x 10-3 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-3 mol / L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-3 mol / L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 1.5 x 10-3 mol / L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-3 mol / L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.6 x 10-3 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.6 x 10-3 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.012 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-3 mol / L | Amanzi angaphazanyiswanga pH 6.00; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 367.36 | ||
| pKa | 9.16±0.20 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.68±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 217.6±7.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 6 | (1) ACD | |
| H Abamkeli | 11 | (1) ACD | |
| H Abaxhasi | 4 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 15 | (1) ACD | |
| logP | -0.464±0.636 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 367.36 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 147 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
ISpectra ekhoyo
13C NMR
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