P2U
Summary
| Name: | 2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE |
| Formula: | C9 H13 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 308.182 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1C2=CNC(=O)NC2=O)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | QJNQHNJPOXCQQR-RRKCRQDMSA-N |
