BQO
Summary
| Name: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| Formula: | C13 H20 N3 O10 P |
| Formal charge: | 0 |
| Formula weight: | 409.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N3O10P/c1-6(7(14)4-17)26-27(22,23)24-5-8-10(19)11(20)12(25-8)16-3-2-9(18)15-13(16)21/h2-4,6-8,10-12,19-20H,5,14H2,1H3,(H,22,23)(H,15,18,21)/t6-,7-,8-,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | MTUPUTQZEYXVLI-ZXIMEAKPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O)[C@H](N)C=O |
| SMILES | CACTVS | 3.385 | C[CH](O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C=O)N)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O |
