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537-40-6

537-40-6 structural image
Product Name: TRILINOLEIN
Formula: C57H98O6
Synonyms: 1,2,3-Tri-(cis,cis-9,12-octadecadienoyl)glycerol;1,2,3-Trilinoleoylglycerol;Glycerol trilinoleate;TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z));Trilinolein
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Ionization Efficiency Positive

SAFETY INFORMATION

GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 879.4 g/mol
XLogP3 20.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 50
Exact Mass 878.73634084 g/mol
Monoisotopic Mass 878.73634084 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 6
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,2,3-trilinoleoylglycerol is a triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid. It has a role as a mouse metabolite. It is a triglyceride, a TG(18:2/18:2/18:2) and a linoleoyl containing 1,2,3-triacyl-sn-glycerol. It is functionally related to a linoleic acid.