2,3-di(hexadecanoyloxy)propyl (E)-octadec-9-enoate
Basic information
- CAS
37179-82-1- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC- InChIKey
YHMDGPZOSGBQRH-OCEACIFDSA-N- Molecular formula
- C53H100O6
- Average molar mass
- 833.4 g/mol
- Monoisotopic mass
- 832.75199091
Overview
Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate) is a triglyceride.
Names & identifiers
- Preferred name
- 2,3-di(hexadecanoyloxy)propyl (E)-octadec-9-enoate
- IUPAC
- 2,3-di(hexadecanoyloxy)propyl (E)-octadec-9-enoate
- English name
- 1,2-Dipalmitoyl-3-oleoyl-rac-glycerol
- Molecular formula
- C53H100O6
- Molecular weight
- 833.3575
Names & synonyms
93452-43-82,3-di(hexadecanoyloxy)propyl (E)-octadec-9-enoate1,2-Dipalmitoyl-3-Elaidoyl-rac-glycerol1,2-Palmitate-3-elaidate37179-82-11,2-Palmitin-3-ElaidinGlycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)a,b-Dipalmitoolein1,2-Palmitin-3-Olein3-Oleo-1,2-dipalmitinSCHEMBL302651091-Oleoyl-2,3-dipalitoylglycerol
Show more names
PPO Standard1,2-Dipalmitoyl-3-oleoyl-rac-glycerolglyceryl 1,2-rac-dipalmitate-3-oleate1,2-Dihexadecanoyl-3-(cis-9-octadecenoyl)-rac-glycerol
CHEBI:171602MFCD00673525PD126781HY-157734CS-0997588
Database identifiers
- CAS
37179-82-1- PubChem CID
- 6019286
- ChEBI
CHEBI:171602- Nikkaji
- J348.377K
Properties
Computed structural properties
- XLogP
- 22.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 51
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 916
Experimental & physicochemical properties
Melting Point34.5 °C
Physical DescriptionSolid
Physicochemical properties
- storage temp.
- 20 °C · −20°C
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate) is a triglyceride.
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