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3-Hydroxydocosanoic acid

CAT: 0804-HY-W348476-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-W348476-01Size:500 µg
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Description
3-Hydroxydocosanoic acid (β-Hydroxydocosanoic acid) is an ester product.
CAS Number
89946-08-7
Product Name Alternative
β-Hydroxydocosanoic acid
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-hydroxydocosanoic-acid.html
Smiles
CCCCCCCCCCCCCCCCCCCC(O)CC(O)=O
Molecular Formula
C22H44O3
Molecular Weight
356.58
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-Hydroxydocosanoic acid

3-hydroxydocosanoic acid is a 3-hydroxy monocarboxylic acid. It is functionally related to a docosanoic acid.

CAS Number89946-08-7
PubChem CID5282921
IUPAC Name3-hydroxydocosanoic acid
Molecular FormulaC22H44O3
Molecular Weight356.6
XLogP9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count25
Formal Charge0
Complexity278
SMILES
CCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKey
PNPWTPYWWUOMDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxydocosanoic acid
CAS: 89946-08-7
CID: 5282921
Formula: C22H44O3
MW: 356.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.6
XLogP39
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass356.32904526
Monoisotopic Mass356.32904526
Topological Polar Surface Area57.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity278
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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