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Glyceryl trioctanoate

CAT: 0024-sc-215091BSize: 1 LDry Ice: NoHazardous: No
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CAT#:0024-sc-215091BSize:1 L
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CAS Number
538-23-8

Chemical Information

Tricaprylin

Trioctanoin is a triglyceride obtained by acylation of the three hydroxy groups of glycerol by octanoic acid. Used as an alternative energy source to glucose for patients with mild to moderate Alzheimer's disease. It has a role as an anticonvulsant and a plant metabolite. It is a triglyceride and an octanoate ester.

CAS Number538-23-8
PubChem CID10850
IUPAC Name2,3-di(octanoyloxy)propyl octanoate
Molecular FormulaC27H50O6
Molecular Weight470.7
XLogP8.9
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count26
Heavy Atom Count33
Formal Charge0
Complexity461
SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKey
VLPFTAMPNXLGLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tricaprylin
CAS: 538-23-8
CID: 10850
Formula: C27H50O6
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count26
Exact Mass470.36073931
Monoisotopic Mass470.36073931
Topological Polar Surface Area78.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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