CAK
Summary
| Name: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE |
| Synonyms: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID |
| Formula: | C7 H15 O8 P |
| Formal charge: | 0 |
| Formula weight: | 258.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC1CC(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(C1O)O)O)O)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1 |
| InChIKey | InChI | 1.03 | FPLZFJHCPYNBEO-OVHBTUCOSA-N |
