Basic information
- CAS
68601-97-8- Standard SMILES
CCCCCCCCCCCCCCCC(O)C(O)C(=O)O- InChIKey
UAZFXPRZXKJSFJ-UHFFFAOYSA-N- Molecular formula
- C18H36O4
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.26135963
Overview
2,3-dihydroxy stearic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 2,3-Dihydroxyoctadecanoic acid
- IUPAC
- 2,3-dihydroxyoctadecanoic acid
Names & synonyms
2,3-Dihydroxyoctadecanoic acid2,3-Dihydroxystearic acid2,3-dihydroxy stearic acid2,3-dihydroxy-octadecanoic acid68601-97-8SCHEMBL7083858DTXSID003349132,3-Dihydroxyoctadecanoic acid #CHEBI:188217UAZFXPRZXKJSFJ-UHFFFAOYSA-NLMFA02000137
Database identifiers
- CAS
68601-97-8- PubChem CID
- 522305
- DTXSID
DTXSID00334913- ChEBI
CHEBI:188217
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…