Isocitric acid - Moligand™,≥99% , CAS No.320-77-4

CAS: 320-77-4 Cat. No.: I1369951 Fórmula: C₆H₈O₇ Peso molecular: 192.12 Número EC: 206-282-3

GRADE & PURITY Moligand™, ≥99%

Synonyms

Isocitrate | 1-Hydroxypropane-1,2,3-tricarboxylic acid | 3-carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid | 3-carboxy-2-hydroxypentane-1,5-dioic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Isocitrate | 1-Hydroxypropane-1,2,3-tricarboxylic acid | 3-carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid | 3-carboxy-2-hydroxypentane-1,5-dioic acid

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

C(C(C(C(=O)O)O)C(=O)O)C(=O)O

IUPAC Name

1-hydroxypropane-1,2,3-tricarboxylic acid

InChIKey

ODBLHEXUDAPZAU-UHFFFAOYSA-N

INCHI

1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)

Isómeros SMILES

C(C(C(C(=O)O)O)C(=O)O)C(=O)O

CAS alternativo

320-77-4,1637-73-6 (tri-hydrochloride salt)

Número NSC

203797

Términos de entrada MeSH

isocitrate;isocitric acid;isocitric acid, (11)C-labeled;isocitric acid, calcium salt;isocitric acid, disodium salt;isocitric acid, potassium salt;isocitric acid, sodium salt;isocitric acid, trisodium salt

Peso molecular

192.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Beta-hydroxy acid - Monosaccharide - Hydroxy acid - Alpha-hydroxy acid - Secondary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: tricarboxylic acid

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

• Peso molecular: 192.120 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 192.027 Da
• Monoisotopic Mass: 192.027 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1