CID 98618678
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Basic information
- CAS
7226-42-8- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](F)[C@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
KIPRSJXOVDEYLX-XHJNMGKDSA-N- Molecular formula
- C14H19FO9
- Average molar mass
- 350.29 g/mol
Names & identifiers
- Preferred name
- CID 98618678
- IUPAC
- [(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-fluorooxan-2-yl]methyl acetate
- English name
- 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-fluoro-β-D-glucose
- Molecular formula
- C14H19FO9
- Molecular weight
- 350.29
Names & synonyms
1,3,4,6-Tetra-O-acetyl-2-deoxy-2-fluoro-β-D-glucoseAltropyranose, 2-deoxy-2-fluoro-, tetraacetate, β-D- (8CI)
Database identifiers
- CAS
7226-42-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 404.2 · 404.2±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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