6-Deoxy-6-fluoro-dehydroascorbic acid
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Basic information
- CAS
583028-07-3- Standard SMILES
O=C1O[C@H]([C@@H](O)CF)C(=O)C1=O- InChIKey
NYCQDYSNHDUVRV-JLAZNSOCSA-N- Molecular formula
- C6H5FO5
- Average molar mass
- 176.1 g/mol
Names & identifiers
- Preferred name
- 6-Deoxy-6-fluoro-dehydroascorbic acid
- IUPAC
- (5R)-5-[(1R)-2-fluoro-1-hydroxyethyl]oxolane-2,3,4-trione
- English name
- L-threo-2,3-Hexodiulosonic acid, 6-deoxy-6-fluoro-, gamma-lactone (9CI)
- Molecular formula
- C6H5FO5
- Molecular weight
- 176.1
Names & synonyms
6-deoxy-6-fluoro-dehydroascorbic acid583028-07-3DB-223199(5R)-5-[(1r)-2-fluoro-1-hydroxyethyl]-2,3,4(5h)-furantrioneL-threo-2,3-Hexodiulosonic acid, 6-deoxy-6-fluoro-, γ-lactone (9CI)L-threo-2,3-Hexodiulosonic acid, 6-deoxy-6-fluoro-, gamma-lactone (9CI)
Database identifiers
- CAS
583028-07-3
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 319.1 · 319.1±38.0 °C(Predicted)
- Density
- 1.633 · 1.633±0.06 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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