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2190-25-2

2190-25-2 structural image
Product Name: 1,3-Dipalmitoyl-2-oleoylGlycerol
Formula: C53H100O6
Synonyms: 1,3-Dihexadecanoyl-2-(cis-9-octadecenoyl)glycerol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
LogP 19.45
Collision Cross Section 317.58 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids]
Chemical Classes Lipids -> Ambiguous Lipids

SAFETY INFORMATION

GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard

COMPUTED DESCRIPTORS

Molecular Weight 833.4 g/mol
XLogP3 22.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 51
Exact Mass 832.75199091 g/mol
Monoisotopic Mass 832.75199091 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 870
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,3-dipalmitoyl-2-oleoylglycerol is a triglyceride in which the 1- and 3-acyl groups are palmitoyl while that at position 2 is oleoyl. It is functionally related to an oleic acid and a hexadecanoic acid.