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

CAS: 68-04-2 Cat. No.: T774745 분자식: C₆H₅O₇Na₃ 분자량: 258.07 EC 번호: 200-675-3

등급 & 순도 Anhydrous Grade, PharmPure™, USP

Synonyms

tri-Sodium citrate

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

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

사양

동의어

tri-Sodium citrate

사양 및 순도

Anhydrous Grade, USP, PharmPure™

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

등급

Anhydrous Grade, PharmPure™, USP

이름과 식별자

PH

7.5-9.0 (20 °C, 10 g/L in H2O)

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: 425 g/L
• 감도: Moisture sensitive
• 녹는점(°C): 150 °C (decomposition)
• 분자량: 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

XLogP3