FFX
(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
| Created: | 2010-10-27 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 5 |
| Bond Count | 19 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL |
| Systematic Name (OpenEye OEToolkits) | (2R,3S,5R,6S)-2,6-difluorooxane-3,4,5-triol |
| Formula | C5 H8 F2 O4 |
| Molecular Weight | 170.111 |
| Type | D-SACCHARIDE |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC1OC(F)C(O)C(O)C1O |
| SMILES | CACTVS | 3.352 | O[CH]1[CH](O)[CH](F)O[CH](F)[CH]1O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1(C(C(OC(C1O)F)F)O)O |
| Canonical SMILES | CACTVS | 3.352 | O[C@@H]1[C@@H](O)[C@H](F)O[C@H](F)[C@H]1O |
| Canonical SMILES | OpenEye OEToolkits | 1.6.1 | C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+ |
| InChIKey | InChI | 1.03 | QCYATGUEQPTSRF-IYJRPRHRSA-N |














