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Glurate (Standard)

CAT: 0804-HY-W001957R-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W001957R-02Size:100 mg
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Description
Glurate (Standard) is the analytical standard of Glurate. This product is used for research and analytical applications. Glurate (4-Acetylbutyric acid) is an acylating agent. Glurate can be used in the development of antiviral compounds, especially those targeting retroviruses such as herpes virus and HIV. Glurate can be used in the synthesis of acyclic nucleoside derivatives and 5-hydroxyhexanoic acid[1][2].
CAS Number
3128-06-1
Product Name Alternative
4-Acetylbutyric acid (Standard) ; 5-Oxohexanoic acid (Standard) ; NSC-5281 (Standard)
UNSPSC
12352211
Target
Drug Intermediate; HIV; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
CC(=O)CCCC(=O)O
Molecular Formula
C6H10O3
Molecular Weight
130.14
References & Citations
[1]Per Engelhardt, et al. Synthesis of acyclic nucleosides. Patent WO1997030052A1.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-Acetylbutyric acid

5-oxohexanoic acid is a medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. It has a role as a bacterial xenobiotic metabolite. It is a 5-oxo monocarboxylic acid, a straight-chain fatty acid, a medium-chain fatty acid and an oxo fatty acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 5-oxohexanoate.

CAS Number3128-06-1
PubChem CID18407
IUPAC Name5-oxohexanoic acid
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP-0.3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CC(=O)CCCC(=O)O
InChI
InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Acetylbutyric acid
CAS: 3128-06-1
CID: 18407
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area54.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
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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