IDF
Summary
| Name: | 5-fluoro-alpha-L-idopyranosyluronic acid fluoride |
| Synonyms: | 5-fluoro-alpha-L-idosyluronic acid fluoride 5-fluoro-L-idosyluronic acid fluoride; 5-fluoro-idosyluronic acid fluoride |
| Formula: | C6 H8 F2 O6 |
| Formal charge: | 0 |
| Formula weight: | 214.121 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4R,5R,6S)-2,6-bis(fluoranyl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1OC(F)(C(=O)O)C(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | NQKZMBDISJYOPD-ORELYVPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1[C@H](F)O[C@](F)([C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH](F)O[C](F)([CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(OC(C1O)(C(=O)O)F)F)O)O |
