SAY
Summary
| Name: | [(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate |
| Synonyms: | 2'-DEOXY-1'-(3-HYDROXY-4-FORMYLPHENYL)RIBOSE-5'-MONOPHOSPHATE |
| Formula: | C12 H15 O8 P |
| Formal charge: | 0 |
| Formula weight: | 318.216 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2 |
| SMILES | CACTVS | 3.352 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc(C=O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C2CC(C(O2)COP(=O)(O)O)O)O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C12H15O8P/c13-5-8-2-1-7(3-9(8)14)11-4-10(15)12(20-11)6-19-21(16,17)18/h1-3,5,10-12,14-15H,4,6H2,(H2,16,17,18)/t10-,11+,12+/m0/s1 |
| InChIKey | InChI | 1.03 | PCWRNNXGJWWYRH-QJPTWQEYSA-N |
