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Behenyl stearate

CAT: 0804-HY-W127417Size: 1 EachDry Ice: NoHazardous: No
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Description
Behenyl stearate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
22413-03-2
Product Name Alternative
Stearic acid behenyl ester
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/behenyl-stearate.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O
Molecular Formula
C40H80O2
Molecular Weight
593.06
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Behenyl stearate
CAS Number22413-03-2
PubChem CID625175
IUPAC Namedocosyl octadecanoate
Molecular FormulaC40H80O2
Molecular Weight593.1
XLogP19.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count38
Heavy Atom Count42
Formal Charge0
Complexity488
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey
SRKUMCYSWLWLLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Behenyl stearate
CAS: 22413-03-2
CID: 625175
Formula: C40H80O2
MW: 593.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.1
XLogP319.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count38
Exact Mass592.61583179
Monoisotopic Mass592.61583179
Topological Polar Surface Area26.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity488
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

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