GUL
Summary
| Name: | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol |
| Synonyms: | 5-FLUORO-BETA-L-GULOSYL FLUORIDE |
| Formula: | C6 H10 F2 O5 |
| Formal charge: | 0 |
| Formula weight: | 200.137 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S,4R,5S,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC1OC(F)(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@]1(F)O[C@H](F)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1(C(C(C(C(O1)F)O)O)O)F)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1 |
| InChIKey | InChI | 1.03 | MGHYRMVVRYCAON-NURPGYHYSA-N |
