(3R,5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester

HCID 11484150

Basic information

Standard SMILES
CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)COC(=O)c1ccccc1
InChIKey
AHXYUJKKWJLJCS-KGLIPLIRSA-N
Molecular formula
C17H24O6
Average molar mass
324.4 g/mol

Names & identifiers

Preferred name
(3R,5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester
IUPAC
[(2S,4R)-2,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl] benzoate

Names & synonyms

SCHEMBL2344498AHXYUJKKWJLJCS-KGLIPLIRSA-N(3R,5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester(3R, 5S)-6-benzoyloxy-3,5-dihydroxyhexanoic acid tert-butylester

Database identifiers

PubChem CID
11484150

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

Related reactions

3 records

Compound notes

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