Obsolete: UPR
Summary
| Name: | 2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE |
| Formula: | C9 H18 N3 O14 P3 |
| Formal charge: | 0 |
| Formula weight: | 485.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-5'-O-[(3R)-1,1,1,3-tetrahydroxy-3-oxo-3-(phosphonooxy)-1lambda~5~,3lambda~5~-diphosphazan-1-yl]uridine |
| OpenEye OEToolkits | 1.7.6 | N-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-tris(oxidanyl)-$l^{5}-phosphanyl]-phosphonooxy-phosphonamidic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(O)(O)(NP(=O)(O)OP(=O)(O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2 |
| InChI | InChI | 1.03 | InChI=1S/C9H18N3O14P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)25-6(5)4-24-29(21,22,23)11-27(16,17)26-28(18,19)20/h1-2,5-6,8,13,21-23H,3-4H2,(H,10,14,15)(H2,11,16,17)(H2,18,19,20)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | VZYHSAMJZCSQOU-SHYZEUOFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)(O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[P](O)(O)(O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(OC1N2C=CC(=O)NC2=O)COP(NP(=O)(O)OP(=O)(O)O)(O)(O)O)O |
