Basic information
- CAS
3158-48-3- Standard SMILES
CCCCCCCCCCCC(O)CCCCCC(=O)O- InChIKey
AROVHWXXFTUQIL-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Names & identifiers
- Preferred name
- 7-Hydroxy-octadecanoic acid
- IUPAC
- 7-hydroxyoctadecanoic acid
- English name
- 7-Hydroxystearic acid
- Molecular formula
- C18H36O3
- Molecular weight
- 300.48
Names & synonyms
7-hydroxyoctadecanoic acid7-hydroxy-octadecanoic acidDL-7-hydroxy stearic acid7-hydroxystearic acidSCHEMBL1874737DTXSID701311528LMFA020001253158-48-3Octadecanoic acid, 7-hydroxy-
Database identifiers
- CAS
3158-48-3- PubChem CID
- 516995
- DTXSID
DTXSID701311528- Nikkaji
- J297.109G
Properties
Computed structural properties
- XLogP
- 6.3
- 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
- Melting point
- 82 °C · 82 °C
- Boiling point
- 433.9 · 433.9±28.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
Chemistry & industry
Suppliers2 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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