GUZ
2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid
Created: | 2012-02-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 5 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid |
Synonyms | 2-deoxy-2-fluoro-alpha-glucuronide; 2-deoxy-2-fluoro-alpha-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid; 2-deoxy-2-fluoro-glucuronic acid |
Systematic Name (OpenEye OEToolkits) | (2S,3S,4S,5R,6S)-5-fluoranyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
Formula | C6 H9 F O6 |
Molecular Weight | 196.13 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1C(O)C(O)C(OC1O)C(=O)O |
SMILES | CACTVS | 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(OC(C1F)O)C(=O)O)O)O |
Canonical SMILES | CACTVS | 3.370 | O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)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-CLQWQSTFSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 56604913 |