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12-Pentacosanol

CAT: 0804-HY-165838Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-165838Size:1 Each
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Description
12-Pentacosanol is an ester product.
CAS Number
138966-98-0
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/12-pentacosanol.html
Smiles
OC(CCCCCCCCCCCCC)CCCCCCCCCCC
Molecular Formula
C25H52O
Molecular Weight
368.68
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

12-Pentacosanol

Pentacosan-12-ol is a secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 12. It has a role as an animal metabolite. It is a secondary fatty alcohol and a pentacosanol.

CAS Number138966-98-0
PubChem CID85627136
IUPAC Namepentacosan-12-ol
Molecular FormulaC25H52O
Molecular Weight368.7
XLogP11.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count22
Heavy Atom Count26
Formal Charge0
Complexity238
SMILES
CCCCCCCCCCCCCC(CCCCCCCCCCC)O
InChI
InChI=1S/C25H52O/c1-3-5-7-9-11-13-14-16-18-20-22-24-25(26)23-21-19-17-15-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey
NUEHZEQYWVWOSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Pentacosanol
CAS: 138966-98-0
CID: 85627136
Formula: C25H52O
MW: 368.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.7
XLogP311.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count22
Exact Mass368.401816278
Monoisotopic Mass368.401816278
Topological Polar Surface Area20.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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