DRM
Summary
| Name: | {[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID |
| Synonyms: | 1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL PMCP-U |
| Formula: | C10 H15 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 290.21 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(1R,2R)-2-(2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)CO[C@@H]1CCC[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)CO[CH]1CCC[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(C(C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | KKXMDNJBVSYDQL-HTQZYQBOSA-N |
