Sodium pyruvate-2-¹³C - ≥99 atom% 13C,≥99% , CAS No.87976-70-3

CAS: 87976-70-3 Cat. No.: S473981 Summenformel: CH₃¹³COCO₂Na Molekulargewicht: 111.04 EG-Nummer: 106-340-7

GRADE & PURITY ≥99 atom% 13C,≥99%

Synonyms

Sodium pyruvate-2-13C | SCHEMBL1332958 | Pyruvic Acid-2-13C | PYRUVIC-2-13C ACID SODIUM SALT | 2-Oxopropanoic Acid-2-13C, Sodium Salt | DTXSID60583980 | Pyruvic acid-2-13C sodium salt | Sodium 2-oxo(2-~13~C)propanoate | HY-Y0781S | Sodium pyruvate-2-13C,

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

Sodium pyruvate-2-13C | SCHEMBL1332958 | Pyruvic Acid-2-13C | PYRUVIC-2-13C ACID SODIUM SALT | 2-Oxopropanoic Acid-2-13C, Sodium Salt | DTXSID60583980 | Pyruvic acid-2-13C sodium salt | Sodium 2-oxo(2-~13~C)propanoate | HY-Y0781S | Sodium pyruvate-2-13C,

Spezifikationen & Reinheit

≥99 atom% 13C,≥99%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99 atom% 13C,≥99%

Namen und Kennungen

Pubchem Sid

528769251

Kanonisches Lächeln

CC(=O)C(=O)[O-].[Na+]

IUPAC Name

sodium;2-oxo(213C)propanoate

InChIKey

DAEPDZWVDSPTHF-CGOMOMTCSA-M

INCHI

1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i2+1;

Isomere SMILES

C[13C](=O)C(=O)[O-].[Na+]

Alternative CAS-Nummer

113-24-6（unlabelled）

Molekulargewicht

111.04

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Schmelzpunkt (°C): >300℃ (lit.)
• Molekulargewicht: 111.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 111.001 Da
• Monoisotopic Mass: 111.001 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.200
• Isotope Atom Count: 1
• 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