DL-4-Hydroxy-2-ketoglutarate Dilithium Salt - ≥85.5% , CAS No.1187-99-1

CAS: 1187-99-1 Cat. No.: D348029

GRADE & PURITY ≥85.5%

Synonyms

AKOS030239798 | DL-4-HYDROXY-2-KETOGLUTARATE | WXSKVKPSMAHCSG-UHFFFAOYSA-N | (+/-)-2-hydroxy-4-oxopentanedioate | DL-4-Hydroxy-2-ketoglutarate Dilithium Salt | FT-0669701 | Pentanedioic acid,2-hydroxy-4-oxo- | 2-Hydroxy-4-oxopentanedioic acid | SCHEMBL126

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

A 4-substituted analog of Glutamic acid. It is a good enzyme substrate for glutamic oxalacetic aminotransferase (GOT).

Specifications

Synonyms

AKOS030239798 | DL-4-HYDROXY-2-KETOGLUTARATE | WXSKVKPSMAHCSG-UHFFFAOYSA-N | (+/-)-2-hydroxy-4-oxopentanedioate | DL-4-Hydroxy-2-ketoglutarate Dilithium Salt | FT-0669701 | Pentanedioic acid, 2-hydroxy-4-oxo- | 2-Hydroxy-4-oxopentanedioic acid | SCHEMBL126

Specifications & Purity

≥85.5%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥85.5%

Names and Identifiers

• Canonical Smiles: C(C(C(=O)O)O)C(=O)C(=O)O
• IUPAC Name: 2-hydroxy-4-oxopentanedioic acid
• InChIKey: WXSKVKPSMAHCSG-UHFFFAOYSA-N
• INCHI: 1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)
• Isomeric SMILES: C(C(C(=O)O)O)C(=O)C(=O)O
• Reaxy-Rn: 1780096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• 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 Dicarboxylic acids and derivatives Beta-hydroxy ketones Alpha-keto acids and derivatives Alpha hydroxy acids and derivatives Alpha-hydroxy ketones Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Short-chain keto acid - Alpha-hydroxy acid - Alpha-keto acid - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - 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: oxo dicarboxylic acid

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Refractive Index: n20D1.54 (Predicted)
• Molecular Weight: 162.100 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 162.016 Da
• Monoisotopic Mass: 162.016 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1