Sodium pyruvate-1-¹³C - ≥99 atom%,≥98% , CAS No.87976-71-4

CAS: 87976-71-4 Cat. No.: S345696 Formula: ¹³CC₂H₃NaO₃ Peso molecolare: 111.04 Numero EC: 102-980-6

GRADE & PURITY ≥99 atom%,≥98%

Synonyms

sodium;2-oxo(113C)propanoate | Pyruvic acid-13C-2 (sodium) | Sodium pyruvate-1-13C | DTXSID40635577 | Sodium 2-oxo(1-~13~C)propanoate | J-005036 | AKOS015913330 | Sodium pyruvate-1-13C, 99 atom % 13C | Sodium pyruvate-3-13C | SCHEMBL1333219 | HY-Y0781S3 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Application

Sodium pyruvate-1-13C results in sensitivity gains that allow disease tracking and interrogation of cellular metabolism by magnetic resonance. Intravenous administration of hyperpolarized [13C]pyruvate enables real-time detection of metabolism by magnetic resonance spectroscopic imaging (MRSI). It is used as a precursor in estimating many volatile organic compounds for use in studying terrestrial biosphere.

Specifications

Sinonimi

sodium;2-oxo(113C)propanoate | Pyruvic acid-13C-2 (sodium) | Sodium pyruvate-1-13C | DTXSID40635577 | Sodium 2-oxo(1-~13~C)propanoate | J-005036 | AKOS015913330 | Sodium pyruvate-1-13C, 99 atom % 13C | Sodium pyruvate-3-13C | SCHEMBL1333219 | HY-Y0781S3 |

Specifiche e purezza

≥99 atom%,≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99 atom%,≥98%

Nomi e identificatori

Pubchem Sid

504769645

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769645

Sorrisi canonici

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

IUPAC Name

sodium;2-oxo(113C)propanoate

InChIKey

DAEPDZWVDSPTHF-FJUFCODESA-M

INCHI

1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i3+1;

Isomeri SMILES

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

CAS alternativo

113-24-6（unlabelled）

Peso molecolare

111.04

Reaxy-Rn

6449778

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6449778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organic cation - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di fusione (°C): >300° C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% the labelled isotope. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87976-71-4, the molecular formula is C3H3NaO3, and the molecular weight is 111.04 g/mol. InChIKey DAEPDZWVDSPTHF-FJUFCODESA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.