α-Ketoglutaric acid disodium salt dihydrate - ≥98%(T) , CAS No.305-72-6

CAS: 305-72-6 Cat. No.: D154292 Molecular Weight: 226.09 EC Number: 206-167-8

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL723421 | UNII-FLP7P4RM46 | disodium 2-oxopentanedioate | FLP7P4RM46 | D91223 | Disodium oxoglurate | sodium 2-oxopentanedioate | Pentanedioic acid, 2-oxo-, sodium salt | alpha -Ketoglutaric acid disodium salt anhydrous | Pentanedioic acid, 2-oxo-,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

α-Ketoglutaric acid disodium salt dihydrate (2-Oxoglutaric acid disodium salt) is the hydrated disodium salt of 2-oxoglutaric acid.
α-Ketoglutaric acid disodium salt dihydrate is suitable reagent used in a study to investigate the role of nitric oxide (NO) in mast cell physiology and biochemistry. α-Ketoglutaric acid disodium salt dihydrate (2-Oxoglutaric acid disodium salt) may be used as starting reagent for the synthesis of deuteriated 2-oxo[3,3-2H2]glutarate disodium salt.

Specifications

Synonyms

SCHEMBL723421 | UNII-FLP7P4RM46 | disodium 2-oxopentanedioate | FLP7P4RM46 | D91223 | Disodium oxoglurate | sodium 2-oxopentanedioate | Pentanedioic acid, 2-oxo-, sodium salt | alpha -Ketoglutaric acid disodium salt anhydrous | Pentanedioic acid, 2-oxo-,

Specifications & Purity

≥98%(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-oxopentanedioate
• InChIKey: YBGBJYVHJTVUSL-UHFFFAOYSA-L
• INCHI: 1S/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
• Isomeric SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
• RTECS: SA0454700
• Molecular Weight: 226.09
• Reaxy-Rn: 5658566
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5658566&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 Alpha-keto acids and derivatives Ketones Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Short-chain keto acid - Alpha-keto acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Ketone - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic salt - Organic sodium salt - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive.
• Molecular Weight: 190.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 189.985 Da
• Monoisotopic Mass: 189.985 Da
• Topological Polar Surface Area: 97.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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: 3

XLogP3

References

1. Zhe Lu, Jingcheng Dai, LingLing Zheng, Zhuoran Teng, Qi Zhang, Dongru Qiu, Lirong Song.  (2019)  Disodium 2-oxoglutarate promotes carbon flux into astaxanthin and fatty acid biosynthesis pathways in Haematococcus.  BIORESOURCE TECHNOLOGY,      [PMID:31874452] [10.1016/j.biortech.2019.122612]