6-Deoxy-6-fluoro-alpha-D-glucopyranose

HCID 7202581

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Basic information

CAS: 62182-12-1
Standard SMILES: O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CF)[C@H]1O
InChIKey: SHFYXYMHVMDNPY-DVKNGEFBSA-N
Molecular formula: C6H11FO5
Average molar mass: 182.15 g/mol
Monoisotopic mass: 182.05905161

Names & identifiers

Preferred name: 6-Deoxy-6-fluoro-alpha-D-glucopyranose
IUPAC: (2S,3R,4S,5S,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol

Names & synonyms

791PO8ZS4X6-Deoxy-6-fluoro-alpha-D-glucopyranosealpha-D-Glucopyranose, 6-deoxy-6-fluoro-62182-12-1RefChem:935903GlyTouCan:G75343EHG75343EHUNII-791PO8ZS4XSCHEMBL49334966-DEOXY-6-FLUORO-.ALPHA.-D-GLUCOPYRANOSE.ALPHA.-D-GLUCOPYRANOSE, 6-DEOXY-6-FLUORO-

Database identifiers

CAS: 62182-12-1
PubChem CID: 7202581
UNII: 791PO8ZS4X
Nikkaji: J507.500I

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 90.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 155

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