1,2-Dipalmitoyl-3-docosahexaenoyl Glycerol - CAS 147965-31-9

Catalog:	BB066735
Product Name:	1,2-Dipalmitoyl-3-docosahexaenoyl Glycerol
CAS:	147965-31-9
Synonyms:	(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl Ester

Technical Data

IUPAC Name:	2,3-di(hexadecanoyloxy)propyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
Description:	1,2-Dipalmitoyl-3-docosahexaenoyl Glycerol can be used in the synthesis of Diacyl glyceryl ethers (DGEs), which are shown to be related to the oil quality of marine foods during storage.
Molecular Weight:	879.38
Molecular Formula:	C57H98O6
Canonical SMILES:	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C=CC=CC=CC=CC=CC=CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI:	InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h26-30,33,35,38,41,44,47,50,54H,4-25,31-32,34,36-37,39-40,42-43,45-46,48-49,51-53H2,1-3H3/b27-26+,29-28+,33-30+,38-35+,44-41+,50-47+
InChI Key:	XWDHYXIQMJAZRX-SLFLAREVSA-N
References:	Yasushi, E. et al. Bios. Biot. Biochem., 60, 216 (1996).

Complexity:	1190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	6
Exact Mass:	878.73634084
Formal Charge:	0
Heavy Atom Count:	63
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	878.73634084
Rotatable Bond Count:	50
Topological Polar Surface Area:	78.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	22.9