GUF
Summary
Name: | 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid |
Synonyms: | 2-deoxy-2-fluoro-beta-glucuronide 2-deoxy-2-fluoro-beta-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid; 2-deoxy-2-fluoro-glucuronic acid |
Formula: | C6 H9 F O6 |
Formal charge: | 0 |
Formula weight: | 196.13 Da |
Component type: | D-saccharide, beta linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid |
OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5R,6R)-5-fluoranyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1C(O)C(O)C(OC1O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1 |
InChIKey | InChI | 1.03 | LDVYRSUUUDDWHG-LVBGKUAWSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O |
SMILES | CACTVS | 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(OC(C1F)O)C(=O)O)O)O |