44P
Summary
| Name: | 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE |
| Formula: | C10 H16 N2 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 402.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine |
| OpenEye OEToolkits | 1.6.1 | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-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)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.352 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CP(=O)(O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | PDEGDTTUBZXACY-ZOQUXTDFSA-N |
