Trimagnesium dicitrate - USP , CAS No.3344-18-1

CAS: 3344-18-1 Cat. No.: T988171 Formula: C₁₂H₁₀Mg₃O₁₄ Molecular Weight: 451.11 EC Number: 222-093-9

GRADE & PURITY USP

Synonyms

Citric acid, magnesium salt (2:3) | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3) | Trimagnesium citrate | Trimagnesium dicitrate | MAGNESIUM CITRATE | RHO26O1T9V | magnesium dicitrate | CITRAMAG | Magnesium citrate (3:2) | MAGNESIUMCI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Citric acid, magnesium salt (2:3) | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3) | Trimagnesium citrate | Trimagnesium dicitrate | MAGNESIUM CITRATE | RHO26O1T9V | magnesium dicitrate | CITRAMAG | Magnesium citrate (3:2) | MAGNESIUMCI

Specifications & Purity

USP

Storage

Room temperature

Shipped In

Normal

Grade

USP

Names and Identifiers

Pubchem Sid

504764013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764013

Canonical Smiles

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]

IUPAC Name

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

InChIKey

PLSARIKBYIPYPF-UHFFFAOYSA-H

INCHI

1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]

Alternate CAS

7779-25-1；144-23-0

Molecular Weight

451.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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 salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: 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: 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

• Solubility: Slightly soluble in water.
• Molecular Weight: 451.120 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 449.962 Da
• Monoisotopic Mass: 449.962 Da
• Topological Polar Surface Area: 281.000 Ų
• Heavy Atom Count: 29
• 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: 5

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