Sodium mesoxalate monohydrate - ≥98%(RT) , CAS No.31635-99-1

CAS: 31635-99-1 Cat. No.: S131484 Molecular Weight: 180.02 Beilstein Registry Number: 4924524 EC Number: 250-741-0 PubChem CID: 6097181

GRADE & PURITY ≥98%(RT)

Synonyms

Ketomalonic acid disodium salt | AS-81724 | DTXSID901036112 | sodium 2,2-dihydroxyl-malonate | Sodium mesoxalate monohydrate | HY-128740 | Dihydroxymalonic acid disodium salt | Mesoxalic acid monohydrate disodium salt | AKOS024319671 | sodium 2,2-dihydrox

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Sodium mesoxalate monohydrate (sodium 2,2-dihydroxymalonate) is an endogenous metabolite.

Specifications

Synonyms

Ketomalonic acid disodium salt | AS-81724 | DTXSID901036112 | sodium 2, 2-dihydroxyl-malonate | Sodium mesoxalate monohydrate | HY-128740 | Dihydroxymalonic acid disodium salt | Mesoxalic acid monohydrate disodium salt | AKOS024319671 | sodium 2, 2-dihydrox

Specifications & Purity

≥98%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(RT)

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2,2-dihydroxypropanedioate
• InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-L
• INCHI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
• Isomeric SMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 6097181
• Molecular Weight: 180.02
• Beilstein: 4924524

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid salts Carboxylic acids Carbonyl hydrates Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Carbonyl hydrate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 180.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 179.965 Da
• Monoisotopic Mass: 179.965 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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