Sodium pyruvate-¹³C₃ - Moligand™,≥99 atom% 13C,≥98% , CAS No.142014-11-7

CAS: 142014-11-7 Cat. No.: S473831 Molecular Weight: 113.02 EC Number: 995-851-6

GRADE & PURITY Moligand™, ≥99 atom% 13C,≥98%

Synonyms

Pyruvic acid 13C3 sodium salt | Sodium 2-oxopropanoate-13C3 | sodium;2-oxo(1,2,3-13C3)propanoate | SCHEMBL1332812 | Sodium pyruvate-13C3, S & P tested, 99 atom % 13C | Sodium 2-oxo(~13~C_3_)propanoate | Pyruvic acid-13C3 sodium salt | Sodium pyruvate-(13-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Sodium 2-oxopropanoate-13C3 is the 13C-labeled Sodium 2-oxopropanoate. Sodium 2-oxopropanoate (Sodium pyruvate), a three-carbon metabolite of Glucose, is a compound produced in the glycolytic pathway. Sodium 2-oxopropanoate is a free radical scavenger that can scavenge ROS

Specifications

Synonyms

Pyruvic acid 13C3 sodium salt | Sodium 2-oxopropanoate-13C3 | sodium;2-oxo(1, 2, 3-13C3)propanoate | SCHEMBL1332812 | Sodium pyruvate-13C3, S & P tested, 99 atom % 13C | Sodium 2-oxo(~13~C_3_)propanoate | Pyruvic acid-13C3 sodium salt | Sodium pyruvate-(13-

Specifications & Purity

Moligand™, ≥99 atom% 13C, ≥98%

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99 atom% 13C, ≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-oxo(1,2,3-13C3)propanoate
• InChIKey: DAEPDZWVDSPTHF-HCULJTSZSA-M
• INCHI: 1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1
• Isomeric SMILES: [13CH3][13C](=O)[13C](=O)[O-].[Na+]
• WGK Germany: 3
• Alternate CAS: 113-24-6（unlabeled）
• Molecular Weight: 113.02

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Ketone - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• 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.
• Melt Point(°C): >300° C (lit.)
• Molecular Weight: 113.022 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 113.008 Da
• Monoisotopic Mass: 113.008 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.200
• Isotope Atom Count: 3
• 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: 2

XLogP3