CVC
Summary
| Name: | [(1~{R},5~{R},6~{R},8~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate |
| Formula: | C9 H14 N3 O10 P V |
| Formal charge: | 0 |
| Formula weight: | 406.137 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [(1~{R},5~{R},6~{R},8~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N3O8P.2H2O.V/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;;/h1-2,4,6-8H,3H2,(H2,10,11,15)(H2,16,17,18);2*1H2;/q-2;;;+4/p-2/t4-,6-,7-,8-;;;/m1.../s1 |
| InChIKey | InChI | 1.03 | RQEDDOKDPWKVRD-LLWADOMFSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@H]3O[V](O)(O)O[C@@H]23 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH]3O[V](O)(O)O[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1=CN(C(=O)N=C1N)C2C3C(C(O2)COP(=O)(O)O)O[V](O3)(O)O |
