H1Q
Summary
| Name: | adenosine divanadate |
| Formula: | C10 H13 N5 O11 V2 |
| Formal charge: | -5 |
| Formula weight: | 481.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanidyl)vanadio]oxy-tris(oxidanidyl)-oxidanyl-vanadium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12N5O4.H2O.6O.2V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);1H2;;;;;;;;/q-1;;;5*-1;2*+1/p-1/t4-,6-,7-,10?;;;;;;;;;/m1........./s1 |
| InChIKey | InChI | 1.03 | SCTBHSLYHREHHB-OUJHSJFHSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[C@H]3O[C@H](CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N |
