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Glyceryl tri (palmitate-1-13C)

CAT: 0024-sc-235260Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-235260Size:1 g
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CAS Number
168294-57-3

Chemical Information

Propane-1,2,3-triyl tri(1-~13~C)hexadecanoate
CAS Number168294-57-3
PubChem CID16212768
IUPAC Name2,3-di((113C)hexadecanoyloxy)propyl (113C)hexadecanoate
Molecular FormulaC51H98O6
Molecular Weight810.3
XLogP21.9
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count50
Heavy Atom Count57
Formal Charge0
Complexity798
SMILES
CCCCCCCCCCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCCCCCCCCCC)O[13C](=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/i49+1,50+1,51+1
InChIKey
PVNIQBQSYATKKL-SRWOPVBSSA-N
Chemical Structure
2D Structure
2D structure of Propane-1,2,3-triyl tri(1-~13~C)hexadecanoate
CAS: 168294-57-3
CID: 16212768
Formula: C51H98O6
MW: 810.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight810.3
XLogP321.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count50
Exact Mass809.74640535
Monoisotopic Mass809.74640535
Topological Polar Surface Area78.9 Ų
Heavy Atom Count57
Formal Charge0
Complexity798
Isotope Atom Count3
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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