C13H19N5O6 Guanosine, 2 ′ -O- (2-methoxyethyl)- (9CI, ACI)
Àireamh Clàraidh CAS
473278-54-5
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 341.32 | - |
| puing ghoil (ri dùil) | 715.0±70.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 1.81 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 13.20±0.70 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
SMILES Isomeric
O(CCOC)[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3
InChI
InChI = 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14) 17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3,14,16,17,21)/t6-,8-,9- ,12-/m1/s1
Iuchrach InChI
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Ainm eile do'n t-Suim so
2′ -O-(2-Methoxyethyl)guanosine (ACI)
Togalaichean rim faighinn
Optical agus sgapaidh
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Cumhachd Rotatory Optical | -51 deg-mL/g-dm | c: 1.4 g / 100ml;Fuasgladh: dichloromethane;λ: 589.3 nm;Teòthachd: 25 °C | (1) CAS |
| Cumhachd Rotatory Optical | Faic an Teacs slàn | (2) CAS |
(1) Wen, Ke;Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke;Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus
| Seilbh | Luach | Stòr suidheachadh |
| Rubha leaghaidh | Faic an Teacs slàn | (1) CAS |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Acids Niùclasach, (2008), 27(9), 1024-1033, CAplus
Spectra ri fhaighinn
1 H NMR
13 C NMR
IR
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar Co-cheangailte
Teirmeach
| 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 |
| Seilbh | Luach | Staid | Stòr |
| 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)
| Seilbh | Luach | Staid | Stòr |
| Còc | 1.0 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 4.27 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 8.49 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.43 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.54 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.55 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.55 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.55 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 9.54 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | -2.65 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | -1.84 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | -1.08 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | -0.78 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | -0.74 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | -0.73 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | -0.73 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | -0.73 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | -0.73 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | -0.73 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | -0.730±0.568 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 0.44 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 38 g/l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.5 g/l | pH 2;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Fuasgladh mòr | 0.96 g / l | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.48 g / l | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.44 g/L | Uisge gun bhacadh pH 7.20;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.3 x 10-3 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.11 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.016 mol / L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-3 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-3 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | Uisge gun bhacadh pH 7.20;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 341.32 | ||
| pKa | 13.20±0.70 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 1.86 x 10-21 Torr | 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)
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.81 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 188.5 ± 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)
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 8 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 5 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 16 | (1) ACD | |
| logP | -0.730±0.568 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 341.32 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar Polar | 153 A2 | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Staid | Stòr |
| Rubha Goil | 715.0±70.0 °C | Brùth: 760 Torr | (1) ACD |
| Enthalpy vaporization | 109.72 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 386.2±35.7 °C | (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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