Basic information
- CAS
406681-75-2- Standard SMILES
C[C@]1(O)OC[C@H](O)C1=O- InChIKey
CCVJVKWZZMMBHB-UCORVYFPSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225873
Overview
(2R,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- (2S,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one
- IUPAC
- (2S,4S)-2,4-dihydroxy-2-methyloxolan-3-one
Names & synonyms
(S)-DHMF(2S,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one406681-75-2SCHEMBL3921450DTXSID20437096(2s,4s)-2,4-dihydroxy-2-methyldihydrofuran-3-one1-Deoxy-beta-L-glycero-pento-2,3-diulo-2,5-furanose
Database identifiers
- CAS
406681-75-2- PubChem CID
- 10240835
- DTXSID
DTXSID20437096- Nikkaji
- J2.049.000D
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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