Basic information
- CAS
482321-92-6- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(O)c(O)c1O- InChIKey
PRBYFEWSWTXVNB-UHFFFAOYSA-N- Molecular formula
- C25H42O5
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.30322444
Names & identifiers
- Preferred name
- Octadecyl 2,3,4-trihydroxybenzoate
- IUPAC
- octadecyl 2,3,4-trihydroxybenzoate
Names & synonyms
OCTADECYL 2,3,4-TRIHYDROXYBENZOATE482321-92-6DTXSID10621442RefChem:366717DTXCID00572196SCHEMBL7081590
Database identifiers
- CAS
482321-92-6- PubChem CID
- 22008244
- DTXSID
DTXSID10621442
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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