Octadecyl (R)-12-hydroxyoleate
Basic information
- CAS
93980-70-2- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CC(O)CCCCCC- InChIKey
PHVQRWNQGOIZLC-COOPMVRXSA-N- Molecular formula
- C36H70O3
- Average molar mass
- 550.9 g/mol
- Monoisotopic mass
- 550.53249609
Names & identifiers
- Preferred name
- Octadecyl (R)-12-hydroxyoleate
- IUPAC
- octadecyl (Z)-12-hydroxyoctadec-9-enoate
Names & synonyms
Octadecyl (R)-12-hydroxyoleateEINECS 301-049-393980-70-2SCHEMBL27395134PHVQRWNQGOIZLC-COOPMVRXSA-N
Database identifiers
- CAS
93980-70-2- PubChem CID
- 6433017
- EC Number
- 301-049-3
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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