Lithium citrate tribasic tetrahydrate - ≥99% , CAS No.6080-58-6

CAS: 6080-58-6 Cat. No.: L113839 Molecular Weight: 281.98 EC Number: 612-032-8

GRADE & PURITY ≥99%

Synonyms

trilithium(1+) 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate | D04749 | lithium 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate | Citric acid (trilithium salt tetrahydrate) | Lithium citrate (USP) | Lithonate s | LITHIUM (AS CITRATE) [VANDF] | LIT

Storage

Room temperature

Shipped In

Normal

Overview

Quantification of physiological amino acids by gradient lithium ion-exchange HPLC;Lithium citrate is useful as a potential therapeutic for Canavan disease due to aspartoacylase deficiency or aminoacylase deficiency.

Specifications

Synonyms

trilithium(1+) 2-hydroxypropane-1, 2, 3-tricarboxylate tetrahydrate | D04749 | lithium 2-hydroxypropane-1, 2, 3-tricarboxylate tetrahydrate | Citric acid (trilithium salt tetrahydrate) | Lithium citrate (USP) | Lithonate s | LITHIUM (AS CITRATE) [VANDF] | LIT

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504760852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760852
• Canonical Smiles: [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O
• IUPAC Name: trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate
• InChIKey: HXGWMCJZLNWEBC-UHFFFAOYSA-K
• INCHI: 1S/C6H8O7.3Li.4H2O/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);;;;4*1H2/q;3*+1;;;;/p-3
• Isomeric SMILES: [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O
• Alternate CAS: 919-16-4；313222-91-2
• Molecular Weight: 281.98
• Reaxy-Rn: 3819980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3819980&ln=

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 Organic lithium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic lithium salt - Organic alkali metal 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: hydrate

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: H2O: soluble1 M at 20 °C, clear, colorless
• Sensitivity: Hygroscopic
• Molecular Weight: 282.100 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 282.094 Da
• Monoisotopic Mass: 282.094 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 20
• 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: 8

XLogP3

References

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2. Mingxi Yang, Bang Su, Zhanchuan Ma, Xiaotian Zheng, Yan Liu, Yangfan Li, Jingyan Ren, Laijin Lu, Bai Yang, Xin Yu.  (2023)  Renal-friendly Li+-doped carbonized polymer dots activate Schwann cell autophagy for promoting peripheral nerve regeneration.  Acta Biomaterialia,      [PMID:36669552] [10.1016/j.actbio.2023.01.027]

3. Lihua Zhao, Chengmei Wei, Junwen Ren, Yuchao Li, Jiajia Zheng, Lichuan Jia, Zhong Wang, Shenli Jia.  (2022)  Biomimetic Nacreous Composite Films toward Multipurpose Application Structured by Aramid Nanofibers and Edge-Hydroxylated Boron Nitride Nanosheets.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c01281]

4. Li-Hua Zhao, Yun Liao, Li-Chuan Jia, Zhong Wang, Xiao-Long Huang, Wen-Jun Ning, Zong-Xi Zhang, Jun-Wen Ren.  (2021)  Ultra-Robust Thermoconductive Films Made from Aramid Nanofiber and Boron Nitride Nanosheet for Thermal Management Application.  Polymers,  13  (13): (2028).  [PMID:34206158] [10.3390/polym13132028]

5. Jianhui Li, Haiting Yan, Dongfeng Dang, Wei Wei, Lingjie Meng.  (2018)  Salt and water co-assisted exfoliation of graphite in organic solvent for efficient and large scale production of high-quality graphene.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:30286311] [10.1016/j.jcis.2018.09.094]

6. Lingxiao Yan, Hongyan Wang, Zhe Sun, Lulu Wang, Chenying Li, Song Xue, Qiang Liu.  (2024)  Enhanced Performance of Lithium-Ion Batteries Based on a Polyethylenimine-Grafted SiO2-Modified Polypropylene Separator.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02222]