FIF
2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid
Created: | 2013-05-07 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 4 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid |
Synonyms | 2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form |
Systematic Name (OpenEye OEToolkits) | (2R,3S,4S,5S)-5-fluoranyl-3,4-bis(oxidanyl)oxane-2-carboxylic acid |
Formula | C6 H9 F O5 |
Molecular Weight | 180.131 |
Type | L-SACCHARIDE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1C(O)C(O)C(OC1)C(=O)O |
SMILES | CACTVS | 3.370 | O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(O1)C(=O)O)O)O)F |
Canonical SMILES | CACTVS | 3.370 | O[C@@H]1[C@@H](F)CO[C@H]([C@H]1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 137349351 |