Basic information
- CAS
4253-64-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O- InChIKey
QMGGUIASDZZMHS-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Overview
Stearoyllactic acid is a fatty acid ester.
Names & identifiers
- Preferred name
- Stearoyllactic acid
- IUPAC
- 2-octadecanoyloxypropanoic acid
Names & synonyms
stearoyllactic acid2-(OCTADECANOYLOXY)PROPANOIC ACID2-octadecanoyloxypropanoic Acid2-O-stearoyl lactic acidSCHEMBL8106034CHEBI:169845QMGGUIASDZZMHS-UHFFFAOYSA-NDTXSID301315659FAHFA 18:0/3:0LMFA07011021WE 21:1;O2NS00047147
Database identifiers
- CAS
4253-64-9- PubChem CID
- 86677
- DTXSID
DTXSID301315659- ChEBI
CHEBI:169845- Nikkaji
- J205.665H
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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