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5-Phenylvaleric acid (Standard)

CAT: 0804-HY-W032915R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W032915R-01Size:5 mg
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Description
5-Phenylvaleric acid (Standard) is an analytical standard for 5-Phenylvaleric acid. This product is used for research and analytical applications. 5-Phenylvaleric acid (5-Phenylpentanoic acid) is a major metabolite produced by the gut microbiota during the metabolism of flavan-3-ols and can serve as a biomarker for flavan-3-ol intake. 5-Phenylvaleric acid can also be used as a raw material for the synthesis of polyhydroxyalkanoates.
CAS Number
2270-20-4
Product Name Alternative
5-Phenylpentanoic acid (Standard)
UNSPSC
12352005
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Smiles
O=C(CCCCC1=CC=CC=C1)O
Molecular Formula
C11H14O2
Molecular Weight
178.23
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Benzenepentanoic acid

5-phenylpentanoic acid is a monocarboxylic acid that is valeric acid substituted by a phenyl group at the delta-position. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a valeric acid.

CAS Number2270-20-4
PubChem CID16757
IUPAC Name5-phenylpentanoic acid
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity148
SMILES
C1=CC=C(C=C1)CCCCC(=O)O
InChI
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey
BYHDDXPKOZIZRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenepentanoic acid
CAS: 2270-20-4
CID: 16757
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity148
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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