UM3
Summary
| Name: | 2'-DEOXYURIDINE 3'-MONOPHOSPHATE |
| Formula: | C9 H13 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 308.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-3'-uridylic acid |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | LXKGKXYIAAKOCT-SHYZEUOFSA-N |
