tri-Sodium citrate - Anhydrous Grade, USP, PharmPure™ , CAS No.68-04-2

CAS: 68-04-2 Cat. No.: T774745 Fórmula: C₆H₅O₇Na₃ Peso molecular: 258.07 Número EC: 200-675-3

CALIDAD & PUREZA Anhydrous Grade, PharmPure™, USP

Synonyms

tri-Sodium citrate

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

tri-Sodium citrate anhydrous is typically used as a citrate buffer system component for biomolecule downstream chromatography steps or final liquid formulation.

Especificaciones

Sinónimos

tri-Sodium citrate

Especificaciones y pureza

Anhydrous Grade, USP, PharmPure™

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged,Desiccated

Enviado en

Normal

Grado

Anhydrous Grade, PharmPure™, USP

Nombres e identificadores

PH

7.5-9.0 (20 °C, 10 g/L in H2O)

Sonrisas canónicas

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

IUPAC Name

trisodium;2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

HRXKRNGNAMMEHJ-UHFFFAOYSA-K

INCHI

1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3

Isómeros SMILES

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

Peso molecular

258.07

Reaxy-Rn

3920956

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3920956&ln=

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: Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - 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: organic sodium salt

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

• Solubilidad: 425 g/L
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 150 °C (decomposition)
• Peso molecular: 258.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 257.973 Da
• Monoisotopic Mass: 257.973 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• 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: 4

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