FM0
Summary
| Name: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid |
| Synonyms: | 6-fluoromevalonate 5-diphosphate |
| Formula: | C6 H13 F O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 326.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3R)-3-(fluoromethyl)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C[C@@](O)(CF)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)C[C](O)(CF)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(COP(=O)(O)OP(=O)(O)O)C(CC(=O)O)(CF)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | YIGLDWRZXXHIGZ-ZCFIWIBFSA-N |
