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Octyl-α-ketoglutarate (α-KG octyl ester) - ≥98%, high purity , CAS No.876150-14-0
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Octyl-α-ketoglutarate is a stable, cell-permeable form of α-ketoglutarate which accumulates rapidly and preferentially in cells with a dysfunctional TCA cycle.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Short-chain keto acids and derivatives Fatty acid esters Dicarboxylic acids and derivatives Alpha-keto acids and derivatives Ketones Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Gamma-keto acid - Fatty acid ester - Short-chain keto acid - Alpha-keto acid - Dicarboxylic acid or derivatives - Fatty acyl - Ketone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
5-octoxy-4,5-dioxopentanoic acid
INCHI
InChI=1S/C13H22O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h2-10H2,1H3,(H,15,16)
InChIKey
QNFIHKFBQFJVKV-UHFFFAOYSA-N
Smiles
CCCCCCCCOC(=O)C(=O)CCC(=O)O
Isomeric SMILES
CCCCCCCCOC(=O)C(=O)CCC(=O)O
PubChem CID
11615849
Molecular Weight
258.31
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
258.310 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
12
Exact Mass
258.147 Da
Monoisotopic Mass
258.147 Da
Topological Polar Surface Area
80.700 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
273.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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