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Chemical structure of 1,2-Dioleoyl-3-Docosohexaenoyl-rac-glycerol

GC41809

1,2-Dioleoyl-3-Docosohexaenoyl-rac-glycerol

Also known as 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

1,2-Dioleoyl-3-docosohexaenoyl-rac-glycerol is a triacylglycerol that contains oleic acid at the sn-1 and sn-2 positions and docosahexaenoic acid at the sn-3 position

ChemicalCAS116198-39-1MW931.5FormulaC61H102O6
CAS number
116198-39-1
Molecular weight
931.5
Formula
C61H102O6
Solubility
Chloroform： slightly soluble,DMF： 10 mg/ml,Ethanol： 10 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
QFVBKJOYLFHVKV-DNVUEQEESA-N
Catalogue number
GC41809
Brand
GLPBIO
Computed properties PubChem CID 156589034 · XLogP 21.3 · TPSA 78.9 Ų · H-bond donors 0
XLogP
21.3
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
52
Heavy atoms
67

SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\CCCCCCCC

Computed descriptors from PubChem (CID 156589034), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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