MWG
Summary
| Name: | (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate |
| Formula: | C10 H18 F2 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 350.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-8-fluoranyl-7-(fluoranylmethyl)-3-methyl-octa-1,6-dien-3-yl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C/C(C)(CC\C=C(/CF)CF)OP(=O)(O)OP(O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H18F2O7P2/c1-3-10(2,6-4-5-9(7-11)8-12)18-21(16,17)19-20(13,14)15/h3,5H,1,4,6-8H2,2H3,(H,16,17)(H2,13,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | POYBZGMZDXIMIL-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C |
| SMILES | CACTVS | 3.385 | C[C](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O |
