5-Hydroxyoctadecanoic acid
Basic information
- CAS
2858-38-0- Standard SMILES
CCCCCCCCCCCCCC(O)CCCC(=O)O- InChIKey
YTITYUDOZJUZBE-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Overview
5-hydroxyoctadecanoic acid is a hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) in which one of the hydrogens at position 5 has been replaced by a hydroxy group. It is a conjugate acid of a 5-hydroxyoctadecanoate.
Names & identifiers
- Preferred name
- 5-Hydroxyoctadecanoic acid
- IUPAC
- 5-hydroxyoctadecanoic acid
- English name
- 5-Hydroxyoctadecanoic acid
- Molecular formula
- C18H36O3
- Molecular weight
- 300.48
Names & synonyms
5-hydroxyoctadecanoic acid2858-38-05-hydroxy-octadecanoic acidDL-5-hydroxy stearic acidOctadecanoic acid, 5-hydroxy-5-hydroxystearic acid5-hydroxy-stearic aciddelta-hydroxystearic acidSCHEMBL1881816CHEBI:136819DTXSID901311774LMFA02000123
Database identifiers
- CAS
2858-38-0- PubChem CID
- 5282909
- DTXSID
DTXSID901311774- ChEBI
CHEBI:136819- Nikkaji
- J297.107K
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Boiling point
- 433.9 · 433.9±28.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
Chemistry & industry
Applications
Usesis a fatty acid that can be used in biological studies of in hydroxy fatty acid oxidation by microsome.
Additional notes
DefinitionChEBI: 5-hydroxyoctadecanoic acid is a hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) in which one of the hydrogens at position 5 has been replaced by a hydroxy group. It is a conjugate acid of a 5-hydroxyoctadecanoate.
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