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138998-42-2 | Docosanoic acid, 3-hydroxy-2-[(1-oxodecyl)oxy]propyl ester
CAS No: 138998-42-2 Catalog No: AG0019ZD MDL No:
Product Description
Catalog Number:
AG0019ZD
Chemical Name:
Docosanoic acid, 3-hydroxy-2-[(1-oxodecyl)oxy]propyl ester
CAS Number:
138998-42-2
Molecular Formula:
C35H68O5
Molecular Weight:
568.9114
IUPAC Name:
(2-decanoyloxy-3-hydroxypropyl) docosanoate
InChI:
InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3
InChI Key:
XLPIKANZEWEIDY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC)CO
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.507g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
568.924g/mol
Monoisotopic Mass:
568.507g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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