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Chemical structure of 1,2-Dieicosapentaenoyl-3-Palmitoyl-rac-glycerol

GC41791

1,2-Dieicosapentaenoyl-3-Palmitoyl-rac-glycerol

Also known as [3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

1,2-Dieicosapentaenoyl-3-palmitoyl-rac-glycerol is a triacylglycerol containing eicosapentaenoic acid at the sn-1 and sn-2 positions and palmitic acid at the sn-3 position

ChemicalCAS115433-29-9MW899.4FormulaC59H94O6
CAS number
115433-29-9
Molecular weight
899.4
Formula
C59H94O6
Solubility
DMF： 10 mg/ml,Ethanol： 10 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
QTNYDZPWHCXVJM-HTSKAZOUSA-N
Catalogue number
GC41791
Brand
GLPBIO
Computed properties PubChem CID 138247639 · XLogP 18.9 · TPSA 78.9 Ų · H-bond donors 0
XLogP
18.9
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
48
Heavy atoms
65

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

Computed descriptors from PubChem (CID 138247639), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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