5GF
Summary
| Name: | 5-fluoro-beta-D-glucopyranose |
| Synonyms: | 5-fluoro-beta-D-glucose 5-fluoro-D-glucose; 5-fluoro-glucose |
| Formula: | C6 H11 F O6 |
| Formal charge: | 0 |
| Formula weight: | 198.146 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) |
| OpenEye OEToolkits | 1.9.2 | (2R,3R,4R,5S,6S)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1(OC(O)C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | YQZCKDSOGGIGPL-VFUOTHLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C1(C(C(C(C(O1)O)O)O)O)F)O |
