Basic information
- CAS
6988-54-1- Standard SMILES
C[C@H](O)[C@H](O)[C@@](C)(O)CC=O- InChIKey
JYAQWANEOPJVEY-ACZMJKKPSA-N- Molecular formula
- C7H14O4
- Average molar mass
- 162.18 g/mol
Names & identifiers
- Preferred name
- 2,6-Di-desoxy-3-methyl-L-glucose
- IUPAC
- (3S,4S,5S)-3,4,5-trihydroxy-3-methylhexanal
- English name
- 3-C-Methyl-2,6-dideoxy-L-arabino-hexopyranose
- Molecular formula
- C7H14O4
- Molecular weight
- 162.18
Names & synonyms
2,6-Di-desoxy-3-methyl-L-glucoseOlivomycoseL-arabino-Hexose, 2,6-dideoxy-3-C-methyl-3-C-Methyl-2,6-dideoxy-L-arabino-hexopyranose
Database identifiers
- CAS
6988-54-1
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 360.2 · 360.2±42.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 13.79 · 13.79±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…