Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate)
Basic information
- CAS
28409-91-8- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC- InChIKey
VVEBTVMJPTZDHO-XUVHLPINSA-N- Molecular formula
- C57H100O6
- Average molar mass
- 881.4 g/mol
- Monoisotopic mass
- 880.75199091
Names & identifiers
- Preferred name
- Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate)
- IUPAC
- 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (E)-octadec-9-enoate
Names & synonyms
2190-21-812-Dilinoleoyl-3-oleoyl-rac-glycerolGlycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate)1,2-dilinoleoyl-3-oleoylglycerola,b-DilinoleooleinSCHEMBL13701156(9Z,9'Z,12Z,12'Z)-3-(Oleoyloxy)propane-1,2-diyl bis(octadeca-9,12-dienoate)1,2-dilin-oleoyl-3-oleoyl-rac-glycerol9,12-Octadecadienoic acid 1-[[(1-oxo-9-octadecenyl)oxy]methyl]-1,2-ethanediyl ester
Database identifiers
- CAS
28409-91-8- PubChem CID
- 6015477
Properties
Computed structural properties
- XLogP
- 21
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 51
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,150
Experimental & physicochemical properties
Melting Point-14 °C
Physical DescriptionLiquid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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