Basic information
- Standard SMILES
CC(C)(C)C(=O)OCc1cc(=O)c(O)c(CO)o1- InChIKey
UYTJTEXIQKJGOJ-UHFFFAOYSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-3-hydroxy-6-(trimethylacetoxymethyl)-4-pyrone
- IUPAC
- [5-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL11464684UYTJTEXIQKJGOJ-UHFFFAOYSA-N2-hydroxymethyl-3-hydroxy-6-(trimethylacetoxymethyl)-4-pyrone
Database identifiers
- PubChem CID
- 23344868
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Related reactions
3 records
Compound notes
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