C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 367.36 | - |
| Dùmhlachd (Ro-innse) | 1.68 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 9.16±0.20 | Teòthachd as searbhach: 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)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
Iuchrach InChI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Ainmean Eile air son an Fhois so
2′-O- Methyl-N- (2-methyl-1-oxopropyl) guanasine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Spectra ri fhaighinn
1H NMR
13C NMR
Aifreann
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 1.0 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 10;Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 2.12 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 8.67 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 12.6 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 13.3 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 13.3 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 13.3 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 13.2 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 12.5 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Còc | 7.85 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 1.76 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | -1.26 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | -0.65 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | -0.49 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | -0.47 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | -0.46 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | -0.46 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | -0.47 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | -0.49 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | -0.69 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | -1.34 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 0.55 g / l | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 g/l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.84 g / l | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.59 g/l | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.55 g / l | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.55 g / l | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.55 g / l | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.55 g / l | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.59 g/l | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.96 g / l | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.4 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.55 g / l | Uisge gun bhuain pH 6.00;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.5 x 10-3 mol / l | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-3 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-3 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-3 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol / l | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol / l | pH 5;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 1.5 x 10-3 mol / l | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol / l | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-3 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-3 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.012 mol / L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-3 mol / l | Uisge gun bhuain pH 6.00;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 367.36 | ||
| pKa | 9.16±0.20 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.68 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 217.6 ± 7.0 cm3 / mol | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 6 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 4 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 15 | (1) ACD | |
| logP | -0.464±0.636 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 367.36 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 147 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
Spectra ri fhaighinn
13C NMR
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