UC5
Summary
| Name: | 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE |
| Formula: | C10 H16 N2 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 386.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine |
| OpenEye OEToolkits | 1.5.0 | [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[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[P@](=O)(CP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | MYBNSHXDOWMNJH-LKEWCRSYSA-N |
