3,12-Dihydroxyhexadecanoic acid
Basic information
- CAS
66675-73-8- Standard SMILES
CCCCC(O)CCCCCCCCC(O)CC(=O)O- InChIKey
FEIUPFRYFFTGFY-UHFFFAOYSA-N- Molecular formula
- C16H32O4
- Average molar mass
- 288.42 g/mol
- Monoisotopic mass
- 288.2300595
Overview
3,12-dihydroxy palmitic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 3,12-Dihydroxyhexadecanoic acid
- IUPAC
- 3,12-dihydroxyhexadecanoic acid
- English name
- 3,12-dihydroxyhexadecanoic acid
- Molecular formula
- C16H32O4
- Molecular weight
- 288.42
Names & synonyms
3,12-Dihydroxyhexadecanoic acid66675-73-83,12-Dihydroxypalmitic acidDTXSID50985252Hexadecanoic acid, 3,12-dihydroxy-RefChem:910503DTXCID7014124493,12-dihydroxy palmitic acid3,12-dihydroxy-hexadecanoic acid3,12-DihydroxypalmitinsaureSCHEMBL8658956CHEBI:179895
Show more names
LMFA01050083
Database identifiers
- CAS
66675-73-8- PubChem CID
- 125639
- DTXSID
DTXSID50985252- ChEBI
CHEBI:179895
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 445.6 · 445.6±20.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
Chemistry & industry
Applications
Uses3,12-Dihydroxyhexadecanoic Acid is a potential antineoplastic fatty acid which may be usedful in leukemia treatments.
Additional notes
DefinitionChEBI: 3,12-dihydroxy palmitic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…