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Heneicosanyl acetate

CAT: 0804-HY-166013Size: 1 EachDry Ice: NoHazardous: No
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Description
Heneicosanyl acetate (1-Heneicosanol, acetate) is an ester product.
CAS Number
84845-59-0
Product Name Alternative
1-Heneicosanol, acetate
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/heneicosanyl-acetate.html
Smiles
CCCCCCCCCCCCCCCCCCCCCOC(C)=O
Molecular Formula
C23H46O2
Molecular Weight
354.61
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Heneicosanyl acetate
CAS Number84845-59-0
PubChem CID13908469
IUPAC Namehenicosyl acetate
Molecular FormulaC23H46O2
Molecular Weight354.6
XLogP10.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count25
Formal Charge0
Complexity263
SMILES
CCCCCCCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(2)24/h3-22H2,1-2H3
InChIKey
HHIFOCFPEAIUAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heneicosanyl acetate
CAS: 84845-59-0
CID: 13908469
Formula: C23H46O2
MW: 354.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.6
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass354.349780706
Monoisotopic Mass354.349780706
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity263
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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