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

CAS: 99124-30-8 Cat. No.: P465462 Peso molecular: 89.05 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99 atom% 13C, ≥99%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99 atom% 13C, ≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)[13C](=O)O
• CAS alternativo: 127-17-3（unlabelled）
• Número ONU: 3265
• Peso molecular: 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
    • Clase Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive，Air sensitive，Light sensitive
• Punto de inflamación (°F): 179.6 °F - closed cup
• Punto de inflamación (°C): 82 °C - closed cup
• Punto de ebullición (°C): 165℃
• Punto de fusión (°C): 11-12 °C
• Peso molecular: 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