Basic information
- CAS
149655-76-5- Standard SMILES
COC(C(O)C=O)C(O)C(C)O- InChIKey
MPQBLCRFUYGBHE-UHFFFAOYSA-N- Molecular formula
- C7H14O5
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.08412354
Overview
See also: 6-deoxy-3-O-methylgalactose (annotation moved to).
Names & identifiers
- Preferred name
- D-Digitalose
- IUPAC
- 2,4,5-trihydroxy-3-methoxyhexanal
Names & synonyms
D-Digitalose3-O-Methyl-6-deoxy-L-glucose6-Deoxy-3-O-methylhexose #SCHEMBL22748759AAA52374
Database identifiers
- CAS
149655-76-5- PubChem CID
- 554111
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…