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Chemical structure of 1,3-Dipalmitoyl-2-Docosahexaenoyl-rac-glycerol

GC40167

1,3-Dipalmitoyl-2-Docosahexaenoyl-rac-glycerol

Also known as 1,3-di(hexadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

1,3-Dipalmitoyl-2-docosahexaenoyl-rac-glycerol is a triacylglycerol that contains palmitic acid at the sn-1 and sn-3 positions and docosahexaenoic acid at the sn-2 position

ChemicalCAS214038-32-1MW879.4FormulaC57H98O6
CAS number
214038-32-1
Molecular weight
879.4
Formula
C57H98O6
Solubility
Chloroform: slightly soluble,DMF: 10 mg/ml,Ethanol: 10 mg/ml
InChIKey
FBUBTADVAQJSNW-JJGRXMOISA-N
Catalogue number
GC40167
Brand
GLPBIO
Computed properties PubChem CID 101948154 · XLogP 21 · TPSA 78.9 Ų · H-bond donors 0
XLogP
21
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
50
Heavy atoms
63

SMILES CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Computed descriptors from PubChem (CID 101948154), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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