Methyl 2-deoxy-2-fluoro-D-galactopyranoside
Basic information
- CAS
79698-13-8- Standard SMILES
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1F- InChIKey
CRIUOMMBWCCBCQ-XUUWZHRGSA-N- Molecular formula
- C7H13FO5
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.07470167
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 2-deoxy-2-fluoro-D-galactopyranoside
- IUPAC
- (2R,3R,4S,5R,6R)-5-fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
- English name
- Methyl-2-deoxy-2-fluoro-beta-D-galactopyranoside
- Molecular formula
- C7H13FO5
- Molecular weight
- 196.17
Names & synonyms
MDFGP79698-13-8Methyl 2-deoxy-2-fluoro-D-galactopyranosideMethyl 2-deoxy-2-fluoro-D-beta-galactopyranosidebeta-D-Galactopyranoside, methyl 2-deoxy-2-fluoro-RefChem:157326DTXSID801000675Methyl 2-deoxy-2-fluorohexopyranosideAKOS006290529methyl 2-deoxy-2-fluoro-beta-D-galactopyranosideMETHYL-2-DEOXY-2-FLUORO-SS-D-GALACTOPYRANOSIDEMethyl-2-deoxy-2-fluoro-beta-D-galactopyranoside
Database identifiers
- CAS
79698-13-8- PubChem CID
- 196134
- DTXSID
DTXSID801000675
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 352.717 · 352.717±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.406 · 1.406±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.424 · 12.424±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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