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- ChemComp-FFX: (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: FFX
NameName: (2R,3S,5R,6S)-2,6-difluorooxane-3,4,5-triol

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Chemical information

Composition
Formula: C5H8F2O4 / Number of atoms: 19 / Formula weight: 170.111 / Formal charge: 0
OthersType: D-saccharide / PDB classification: ATOMS / Three letter code: FFX / Ideal coordinates details: Corina
History
Create componentOct 27, 2010
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04FC1OC(F)C(O)C(O)C1O
CACTVS 3.352O[CH]1[CH](O)[CH](F)O[CH](F)[CH]1O
OpenEye OEToolkits 1.6.1C1(C(C(OC(C1O)F)F)O)O

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SMILES CANONICAL

CACTVS 3.352O[C@@H]1[C@@H](O)[C@H](F)O[C@H](F)[C@H]1O
OpenEye OEToolkits 1.6.1C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O

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InChI

InChI 1.03InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+

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InChIKey

InChI 1.03QCYATGUEQPTSRF-IYJRPRHRSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R,3S,4s,5R,6S)-2,6-difluorotetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
OpenEye OEToolkits 1.6.1(2R,3S,5R,6S)-2,6-difluorooxane-3,4,5-triol

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PDB entries

Showing all 1 items

PDB-2xvk:
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with 5-fluoro-alpha-D-xylopyranosyl fluoride

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