FIF
Summary
| Name: | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid |
| Synonyms: | 2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form |
| Formula: | C6 H9 F O5 |
| Formal charge: | 0 |
| Formula weight: | 180.131 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4S,5S)-5-fluoranyl-3,4-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1C(O)C(O)C(OC1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | KRAJNEOUENOZDR-SKNVOMKLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1[C@@H](F)CO[C@H]([C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(O1)C(=O)O)O)O)F |
