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

HCID 21040752
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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

Related reactions

19 records
New reaction record

Linked notes

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