(5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(O)C[C@H](O)COC(=O)c1ccccc1- InChIKey
AHXYUJKKWJLJCS-KZUDCZAMSA-N- Molecular formula
- C17H24O6
- Average molar mass
- 324.4 g/mol
Names & identifiers
- Preferred name
- (5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester
- IUPAC
- [(2S)-2,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl] benzoate
Names & synonyms
SCHEMBL5746225AHXYUJKKWJLJCS-KZUDCZAMSA-N(5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester
Database identifiers
- PubChem CID
- 21040752
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Related reactions
19 records
Compound notes
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