L-Aspartic acid sodium salt monohydrate - ≥98% , CAS No.323194-76-9

CAS: 323194-76-9 Cat. No.: S169558 Molecular Weight: 173.1 Beilstein Registry Number: 6101940 EC Number: 223-264-0 PubChem CID: 23679051

GRADE & PURITY ≥98%

Synonyms

L-Aspartic acid sodium salt monohydrate | L-Aspartic acid sodium salt monohydrate, >=99.0% (NT) | (S)-Aminobutanedioic acid sodium salt monohydrate | L-Aspartic acid sodium salt monohydrate, >=98% (TLC) | sodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;hydra

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

L-Aspartic acid is a non-essential amino acid.

Product Application:

L-Aspartic acid sodium salt monohydrate can be used in studies that involve analyzing the diffusion coefficients and osmotic coefficients of amino acids in aqueous solutions. 

Specifications

Synonyms

L-Aspartic acid sodium salt monohydrate | L-Aspartic acid sodium salt monohydrate, >=99.0% (NT) | (S)-Aminobutanedioic acid sodium salt monohydrate | L-Aspartic acid sodium salt monohydrate, >=98% (TLC) | sodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;hydra

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Principal neurotransmitter for fast synaptic excitation.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200508
• Canonical Smiles: C(C(C(=O)[O-])N)C(=O)O.O.[Na+]
• IUPAC Name: sodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;hydrate
• InChIKey: PPTHNBYUFXSJPS-JIZZDEOASA-M
• INCHI: 1S/C4H7NO4.Na.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;+1;/p-1/t2-;;/m0../s1
• Isomeric SMILES: C([C@@H](C(=O)[O-])N)C(=O)O.O.[Na+]
• WGK Germany: 3
• PubChem CID: 23679051
• Molecular Weight: 173.1
• Beilstein: 6101940

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: L-alpha-amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Carboxylic acid salts Amino acids Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Carboxylic acid salt - Amino acid - Carboxylic acid - Organic alkali metal salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic sodium salt - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: Soluble in cold water.
• Sensitivity: Moisture sensitive.
• Molecular Weight: 173.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 173.03 Da
• Monoisotopic Mass: 173.03 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 3

XLogP3

References

1. Jian Su, Xianwei Zhang, Tao Hu, Qiwei Liu, Nan Sun, Chao Hu, Wei Xian, Jianhua Qiu, Han Zhang, Ziyao Zhou.  (2025)  Synergistic Defect Suppression and Stress Relief for Efficient Spray-Coated SnO2-Based Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:40935846] [10.1021/acsami.5c14396]