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Glycerol triheptadecanoate

CAT: 1299-RG-E141377-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141377-01Size:10 mg
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CAS Number
2438-40-6
Synonyms
Propane-1,2,3-triyl triheptadecanoate
Molecular Formula
C54H104O6
Molecular Weight
849.42
Product Name Synonym
Propane-1,2,3-triyl triheptadecanoate

Chemical Information

Triheptadecanoin

TG(17:0/17:0/17:0) is a triacylglycerol 51:0.

CAS Number2438-40-6
PubChem CID3625612
IUPAC Name2,3-di(heptadecanoyloxy)propyl heptadecanoate
Molecular FormulaC54H104O6
Molecular Weight849.4
XLogP23.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count53
Heavy Atom Count60
Formal Charge0
Complexity841
SMILES
CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
InChIKey
FBFWDBGUSMGXPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triheptadecanoin
CAS: 2438-40-6
CID: 3625612
Formula: C54H104O6
MW: 849.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight849.4
XLogP323.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count53
Exact Mass848.78329103
Monoisotopic Mass848.78329103
Topological Polar Surface Area78.9 Ų
Heavy Atom Count60
Formal Charge0
Complexity841
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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Alternative Products

CatalogName
451307-01Glyceryl Triheptadecanoate
451308-01Glyceryl Triheptadecanoate-d5
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