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Palmitic Acid Arachidyl Ester

CAT: 0024-sc-296017ASize: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-296017ASize:500 mg
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CAS Number
22413-01-0

Chemical Information

Arachidyl palmitate

Arachidyl palmitate is a palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of icosan-1-ol. It is a wax ester and a hexadecanoate ester. It is functionally related to an icosan-1-ol.

CAS Number22413-01-0
PubChem CID89702
IUPAC Nameicosyl hexadecanoate
Molecular FormulaC36H72O2
Molecular Weight537.0
XLogP17.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count34
Heavy Atom Count38
Formal Charge0
Complexity433
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
OMQAAHBXTQQRLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arachidyl palmitate
CAS: 22413-01-0
CID: 89702
Formula: C36H72O2
MW: 537.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight537.0
XLogP317.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count34
Exact Mass536.55323154
Monoisotopic Mass536.55323154
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity433
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