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68334-00-9

68334-00-9 structural image
Product Name: TRISTEARIN
Formula: C57H110O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder; Other Solid
Color/Form White powder
Odor Odorless
Taste Tasteless
Melting Point MP: 55 °C (ALPHA), 64.5 °C (BETA'), 73 °C (BETA)
Solubility Insoluble in water. Soluble in chloroform, carbon disulfide
Density 0.8559 at 90 °C/4 °C
Vapor Pressure 5.4X10-17 mm Hg at 25 °C /Estimated/
LogP log Kow = 24 /Estimated/
Henry's Law Constant Henry's Law constant = 1.4X10-3 atm-cu m/mole at 25 °C /Estimated/
Refractive Index Index of refraction = 1.4385 at 80 °C/D
Collision Cross Section 331.09 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
Other Experimental Properties On heating above 55 °C it solidifies and melts again at 72 °C.
Chemical Classes Lipids -> Unambiguous Lipids

COMPUTED DESCRIPTORS

Molecular Weight 891.5 g/mol
XLogP3 25.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 56
Exact Mass 890.83024122 g/mol
Monoisotopic Mass 890.83024122 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 886
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tristearoylglycerol is a triglyceride that is glycerol in which all three hydroxy groups have been formally esterified with stearic acid. It has a role as a plant metabolite and a Caenorhabditis elegans metabolite. It is functionally related to an octadecanoic acid.