C17H25N5O7 Guanosine, 2 ′-O- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl)- (9CI, A CI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 411.41 | - |
| Rubha leaghaidh (Deuchainneach) | 137-139.2 °C | - |
| Dùmhlachd (Ro-innse) | 1.60 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 8.68±0.20 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)
Isomeric SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@H](CO)O3)NC(NC (C(C)C)=O)=N1
InChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18-7-22(13)16-12(28-5- 4-27-3) 11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21 ,25,26)/t9-,11-,12-,16-/m1/s1
Iuchrach InChI
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Ainm eile do'n t-Suim so
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Togalaichean rim faighinn |
| Teirmeach |
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha leaghaidh | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Acids Niùclasach, (2008), 27(9), 1024-1033, CAplus
Spectra ri fhaighinn
1H NMR
13C NMR
IR
| 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 | 1.0 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 1.01 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 5.81 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 11.4 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 12.6 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 12.7 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 12.5 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 10.6 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Còc | 4.20 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | -2.44 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | -1.60 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | -0.84 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | -0.55 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | -0.50 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | -0.50 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | -0.51 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | -0.58 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | -0.98 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | -1.76 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 0.58 g/l | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 49 g/l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 7.0 g/l | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 g/l | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.62 g / l | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.58 g/l | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.58 g/l | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.58 g/l | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.70 g / l | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 g/l | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 10 g/l | pH 10;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Fuasgladh mòr | 0.58 g/l | Uisge gun bhacadh pH 5.98;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.4 x 10-3 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.12 mol / l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.017 mol / L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.0 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 | 1.4 x 10-3 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-3 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-3 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-3 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-3 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.025 mol / L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-3 mol/L | Uisge gun bhacadh pH 5.98;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 411.41 | ||
| pKa | 8.68±0.20 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | 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 | 1.60 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 256.2 ± 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 | 9 | (1) ACD | |
| H Luchd-gabhail | 12 | (1) ACD | |
| H Luchd-tabhartais | 4 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 16 | (1) ACD | |
| logP | -0.497±0.633 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 411.41 |
(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 | 157 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
13C NMR
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