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- ChemComp-B0D: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyra... -

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Basic information

EntryDatabase: PDB chemical components / ID: B0D
NameName: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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Chemical information

Composition
Formula: C6H10F2O5 / Number of atoms: 23 / Formula weight: 200.137 / Formal charge: 0
Others

3ij8

Type: L-saccharide / PDB classification: ATOMS / Three letter code: B0D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IJ8
History
Create componentAug 18, 2009
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Nikkaji / PubChem / 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 11.02FC1OC(F)(C(O)C(O)C1O)CO
CACTVS 3.352OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1(C(C(C(C(O1)F)O)O)O)F)O

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SMILES CANONICAL

CACTVS 3.352OC[C@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O

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InChI

InChI 1.03InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1

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InChIKey

InChI 1.03MGHYRMVVRYCAON-PQMKYFCFSA-N

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SYSTEMATIC NAME

ACDLabs 11.02(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
OpenEye OEToolkits 1.6.1(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol

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PDB entries

Showing all 2 items

PDB-3ij8:
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase

PDB-3ij9:
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase

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