FKD
Summary
| Name: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
| Synonyms: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid 3-deoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid |
| Formula: | C9 H15 F O9 |
| Formal charge: | 0 |
| Formula weight: | 286.208 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4R,5R,6S)-3-fluoranyl-2,4,5-tris(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | KOWJBKIDVGQXJZ-QMFVTVPYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([C@H](F)[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O |
