Home Other Building Blocks 1-methylethane-1,2-diyl dipalmitate

1-methylethane-1,2-diyl dipalmitate

CAS No.:
33587-20-1
Catalog Number:
AG00D1DW
Molecular Formula:
C35H72O6
Molecular Weight:
588.9426
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Product Description
Catalog Number:
AG00D1DW
Chemical Name:
1-methylethane-1,2-diyl dipalmitate
CAS Number:
33587-20-1
Molecular Formula:
C35H72O6
Molecular Weight:
588.9426
IUPAC Name:
2-hexadecanoyloxypropyl hexadecanoate
InChI:
InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChI Key:
UWTZRBLIYNMYTC-UHFFFAOYSA-N
SMILES:
OCC(O)C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
EC Number:
251-581-4
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.512g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.925g/mol
Monoisotopic Mass:
552.512g/mol
Rotatable Bond Count:
33  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
15.1  
Properties