Basic information
- CAS
23009-76-9- Standard SMILES
COC(=O)C(O)C(O)C(O)CO- InChIKey
JWILWRLEBBNTFH-UHFFFAOYSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Names & identifiers
- Preferred name
- Methyl pentonate
- IUPAC
- methyl 2,3,4,5-tetrahydroxypentanoate
Names & synonyms
methyl pentonateMETHYL ARABONATESCHEMBL6675311DTXSID70945696NSC80653AKOS024332285
Database identifiers
- CAS
23009-76-9- PubChem CID
- 255281
- DTXSID
DTXSID70945696
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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