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Glyceryl trielaidate

CAT: 0024-sc-215085Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215085Size:1 g
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CAS Number
537-39-3

Chemical Information

Trielaidin

Trielaidin is a triglyceride formed by esterification of the three hydroxy groups of glycerol with elaidic acid. It is functionally related to an elaidic acid.

CAS Number537-39-3
PubChem CID5364673
IUPAC Name2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate
Molecular FormulaC57H104O6
Molecular Weight885.4
XLogP22.4
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count53
Heavy Atom Count63
Formal Charge0
Complexity1010
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey
PHYFQTYBJUILEZ-WUOFIQDXSA-N
Chemical Structure
2D Structure
2D structure of Trielaidin
CAS: 537-39-3
CID: 5364673
Formula: C57H104O6
MW: 885.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight885.4
XLogP322.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count53
Exact Mass884.78329103
Monoisotopic Mass884.78329103
Topological Polar Surface Area78.9 Ų
Heavy Atom Count63
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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