Home Other Building Blocks Tripentadecanoin

Tripentadecanoin

CAS No.:
7370-46-9
Catalog Number:
AG008QA3
Molecular Formula:
C48H92O6
Molecular Weight:
765.2405
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Product Description
Catalog Number:
AG008QA3
Chemical Name:
Tripentadecanoin
CAS Number:
7370-46-9
Molecular Formula:
C48H92O6
Molecular Weight:
765.2405
MDL Number:
MFCD00056202
IUPAC Name:
2,3-di(pentadecanoyloxy)propyl pentadecanoate
InChI:
InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3
InChI Key:
CLJLWABDLPQTHL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
UNII:
WOD22J9B8C
Properties
Complexity:
754  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.689g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
765.258g/mol
Monoisotopic Mass:
764.689g/mol
Rotatable Bond Count:
47  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3  
Literature
Title Journal
Lipidomics reveals multiple pathway effects of a multi-components preparation on lipid biochemistry in ApoE*3Leiden.CETP mice. PloS one 20120101
Properties