UBB
Summary
| Name: | 2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE |
| Formula: | C9 H13 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 292.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(CC2)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)OC[CH]1CC[CH](O1)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O7P/c12-7-3-4-11(9(13)10-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H,10,12,13)(H2,14,15,16)/t6-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YHPMDBWWRCBXNU-POYBYMJQSA-N |
