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Behenyl arachidonate

CAT: 0804-HY-165803Size: 1 EachDry Ice: NoHazardous: No
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Description
Behenyl arachidonate (Docosyl (5E,8E,11E,14E) -icosa-5,8,11,14-tetraenoate) is an ester product.
CAS Number
1613724-41-6
Product Name Alternative
Docosyl (5E,8E,11E,14E) -icosa-5,8,11,14-tetraenoate
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/behenyl-arachidonate.html
Smiles
O=C(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)OCCCCCCCCCCCCCCCCCCCCCC
Molecular Formula
C42H76O2
Molecular Weight
613.05
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Behenyl arachidonate
CAS Number1613724-41-6
PubChem CID91750353
IUPAC Namedocosyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Molecular FormulaC42H76O2
Molecular Weight613.1
XLogP17.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count36
Heavy Atom Count44
Formal Charge0
Complexity671
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C42H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34H,3-11,13,15-17,19,21-25,27,29-31,33,35-41H2,1-2H3/b14-12-,20-18-,28-26-,34-32-
InChIKey
IAYKYXSBKLGMJZ-BHBANYMDSA-N
Chemical Structure
2D Structure
2D structure of Behenyl arachidonate
CAS: 1613724-41-6
CID: 91750353
Formula: C42H76O2
MW: 613.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.1
XLogP317.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count36
Exact Mass612.58453166
Monoisotopic Mass612.58453166
Topological Polar Surface Area26.3 Ų
Heavy Atom Count44
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-165849Behenyl arachidate
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HY-165827Behenyl myristate
HY-171947-01Behenyl linoleate
HY-165825Behenyl linoleate
HY-165819Behenyl lignocerate
HY-165840Behenyl myristoleate
HY-W127358Behenyl oleate
HY-165812Behenyl laurate
HY-W127606Behenyl acetate

Alternative Products

CatalogName
MBS394846-01Behenyl Arachidonate
TCL-00215-01Behenyl acetate
442210-01Behenyl Behenate
MBS393421-01Behenyl Stearate
MBS393411-01Behenyl Palmitate
MBS393394-01Behenyl Laurate
MBS393446-01Behenyl Oleate
MBS393402-01Behenyl Myristate
MBS394837-01Behenyl Linolenate
MBS394821-01Behenyl Palmitoleate

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