C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 367.36 | - |
| Density (voavinavina) | 1,68±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr |
| pKa (voavinavina) | 9.16±0.20 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
SMILES Isomerik 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
InChI Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Anarana hafa ho an'ity akora ity
2′-O-Metil-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O- methylguanosine
Spectra misy
1H NMR
13C NMR
-bahoaka
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.0 | pH 1;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 2.12 | pH 1;Mafana: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2;Mafana: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3;Mafana: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4;Mafana: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5;Mafana: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6;Mafana: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 12.5 | pH 8;Mafana: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9;Mafana: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10;Mafana: 25 °C | (1) ACD |
| logD | -1.26 | pH 1;Mafana: 25 °C | (1) ACD |
| logD | -0.65 | pH 2;Mafana: 25 °C | (1) ACD |
| logD | -0.49 | pH 3;Mafana: 25 °C | (1) ACD |
| logD | -0.47 | pH 4;Mafana: 25 °C | (1) ACD |
| logD | -0.46 | pH 5;Mafana: 25 °C | (1) ACD |
| logD | -0.46 | pH 6;Mafana: 25 °C | (1) ACD |
| logD | -0.47 | pH 7;Mafana: 25 °C | (1) ACD |
| logD | -0.49 | pH 8;Mafana: 25 °C | (1) ACD |
| logD | -0.69 | pH 9;Mafana: 25 °C | (1) ACD |
| logD | -1.34 | pH 10;Mafana: 25 °C | (1) ACD |
| logP | -0,464±0,636 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 0,55 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,5 g/L | pH 1;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,84 g/L | pH 2;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,59 g/L | pH 3;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | pH 4;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | pH 5;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | pH 6;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | pH 7;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,59 g/L | pH 8;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,96 g/L | pH 9;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,4 g/L | pH 10;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,55 g/L | Rano tsy voaaro pH 6.00;Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,5 x 10-3 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 9,6 x 10-3 mol/L | pH 1;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-3 mol/L | pH 2;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-3 mol/L | pH 3;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-3 mol/L | pH 4;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-3 mol/L | pH 5;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 1,5 x 10-3 mol/L | pH 6;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-3 mol/L | pH 7;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-3 mol/L | pH 8;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,6 x 10-3 mol/L | pH 9;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,012 mol/L | pH 10;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-3 mol/L | Rano tsy voaaro pH 6.00;Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 367.36 | ||
| pKa | 9.16±0.20 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,68±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
| Boky molar | 217.6±7.0 cm3/mol | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 6 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H Mpanome | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| logP | -0,464±0,636 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 367.36 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 147 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
Spectra misy
13C NMR
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