4H-Pyran-4-one, tetrahydro-3,5-dihydroxy-2-methyl-
Basic information
- CAS
69924-31-8- Standard SMILES
CC1OCC(O)C(=O)C1O- InChIKey
BIADOEGARUERBY-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 4H-Pyran-4-one, tetrahydro-3,5-dihydroxy-2-methyl-
- IUPAC
- 3,5-dihydroxy-2-methyloxan-4-one
Names & synonyms
69924-31-84H-Pyran-4-one, tetrahydro-3,5-dihydroxy-2-methyl-SCHEMBL27946778DTXSID909901881,5-Anhydro-6-deoxyhex-3-ulose
Database identifiers
- CAS
69924-31-8- PubChem CID
- 155442
- DTXSID
DTXSID90990188
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
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Compound notes
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