Pyruvic acid (1-¹³C） - ≥99 atom% 13C,≥99% , CAS No.99124-30-8

CAS: 99124-30-8 Cat. No.: P465462 Molecular Weight: 89.05 EC Number: 690-555-0

GRADE & PURITY ≥99 atom% 13C,≥99%

Synonyms

PYRUVIC ACID 1-C-13, HYPERPOLARIZED | HY-Y0781S1 | 13C1-Pyruvic acid | UNII-2GIJ84D9UB | HYPERPOLARIZED 1-13C-PYRUVIC ACID | Pyruvic-1-13C acid (free acid), >=99 atom % 13C, >=99% (CP) | Q27254717 | DTXSID60436366 | Pyruvic-1-13C acid | Pyruvic-1-13C acid

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Pyruvic-1-13C is isotopic labeled precursor of pyruvic acid.Hyperpolarized13C-labeled pyruvate and its metabolite lactate has been used to image real time metabolic flux in solid tumors and assess tumor response to chemotherapy, radiation, and agents targeting mTOR.

Specifications

Synonyms

PYRUVIC ACID 1-C-13, HYPERPOLARIZED | HY-Y0781S1 | 13C1-Pyruvic acid | UNII-2GIJ84D9UB | HYPERPOLARIZED 1-13C-PYRUVIC ACID | Pyruvic-1-13C acid (free acid), >=99 atom % 13C, >=99% (CP) | Q27254717 | DTXSID60436366 | Pyruvic-1-13C acid | Pyruvic-1-13C acid

Specifications & Purity

≥99 atom% 13C, ≥99%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥99 atom% 13C, ≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)[13C](O)=O
• IUPAC Name: 2-oxo(113C)propanoic acid
• InChIKey: LCTONWCANYUPML-LBPDFUHNSA-N
• INCHI: 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
• Isomeric SMILES: CC(=O)[13C](=O)O
• Alternate CAS: 127-17-3（unlabelled）
• UN Number: 3265
• Molecular Weight: 89.05
• Reaxy-Rn: 506211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506211&ln=

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: Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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，Air sensitive，Light sensitive
• Flash Point(°F): 179.6 °F - closed cup
• Flash Point(°C): 82 °C - closed cup
• Boil Point(°C): 165℃
• Melt Point(°C): 11-12 °C
• Molecular Weight: 89.050 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 89.0194 Da
• Monoisotopic Mass: 89.0194 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 84.000
• 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: 1