Basic information
- CAS
83549-90-0- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)O- InChIKey
UKZPVOXSOKDEQO-UHFFFAOYSA-N- Molecular formula
- C34H66O4
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 538.49611059
Names & identifiers
- Preferred name
- 3-Hexadecanoyloxyoctadecanoic acid
- IUPAC
- 3-hexadecanoyloxyoctadecanoic acid
Names & synonyms
3-Hexadecanoyloxyoctadecanoic acid83549-90-03-(HEXADECANOYLOXY)OCTADECANOIC ACID3-PAHSASCHEMBL10803336DTXSID10542047UKZPVOXSOKDEQO-UHFFFAOYSA-N3-hexadecanoyloxy-octadecanoic acid3-PAHSA;3-palmitoyloxystearic AcidLMFA07090072FAHFA 16:0/3O(FA 18:0)
Database identifiers
- CAS
83549-90-0- PubChem CID
- 13489028
- DTXSID
DTXSID10542047- Nikkaji
- J278.967A
Properties
Computed structural properties
- XLogP
- 14.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 32
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acid estolides [FA0709]
Related reactions
32 records
Compound notes
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