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Glyceryl trinonadecanoate

CAT: 0024-sc-215090Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215090Size:100 mg
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CAS Number
26536-13-0

Chemical Information

1,1',1''-(1,2,3-Propanetriyl) trinonadecanoate
CAS Number26536-13-0
PubChem CID4670742
IUPAC Name2,3-di(nonadecanoyloxy)propyl nonadecanoate
Molecular FormulaC60H116O6
Molecular Weight933.6
XLogP26.8
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count59
Heavy Atom Count66
Formal Charge0
Complexity930
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
InChIKey
IZTDYXKTXNJHMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1',1''-(1,2,3-Propanetriyl) trinonadecanoate
CAS: 26536-13-0
CID: 4670742
Formula: C60H116O6
MW: 933.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight933.6
XLogP326.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count59
Exact Mass932.87719142
Monoisotopic Mass932.87719142
Topological Polar Surface Area78.9 Ų
Heavy Atom Count66
Formal Charge0
Complexity930
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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