SG3
Summary
| Name: | [(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID |
| Formula: | C6 H12 F O5 P |
| Formal charge: | 0 |
| Formula weight: | 214.129 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1E,3R,4S)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(3R,4S)-4-fluoro-3,5-dihydroxy-4-methyl-pent-1-enyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)/C=C/C(O)C(F)(C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@](F)(CO)[C@H](O)/C=C/[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[C](F)(CO)[CH](O)C=C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CO)(C(C=CP(=O)(O)O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C6H12FO5P/c1-6(7,4-8)5(9)2-3-13(10,11)12/h2-3,5,8-9H,4H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | FDKJTMXXMPIUAL-RITPCOANSA-N |
