F3P
Summary
| Name: | (3S)-2-fluoro-3,7-dimethylocta-1,6-dien-3-yl trihydrogen diphosphate |
| Synonyms: | 2-FLUOROLINALYL DIPHOSPHATE |
| Formula: | C10 H19 F O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 332.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-2-fluoro-3,7-dimethylocta-1,6-dien-3-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 3.1.0.0 | [(3~{S})-2-fluoranyl-3,7-dimethyl-octa-1,6-dien-3-yl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)OP(O)(=O)OC(C)(CC\C=C(/C)C)C(=C)F |
| InChI | InChI | 1.06 | InChI=1S/C10H19FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h6H,3,5,7H2,1-2,4H3,(H,15,16)(H2,12,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | UEWCETXFDYIXPA-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC[C@](C)(O[P](O)(=O)O[P](O)(O)=O)C(F)=C |
| SMILES | CACTVS | 3.385 | CC(C)=CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)C(F)=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=CCC[C@@](C)(C(=C)F)O[P@@](=O)(O)OP(=O)(O)O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CCCC(C)(C(=C)F)OP(=O)(O)OP(=O)(O)O)C |
