L-threonic acid - ≥97% , CAS No.7306-96-9

CAS: 7306-96-9 Cat. No.: L1369942 PubChem CID: 5460407

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(C(C(C(=O)O)O)O)O
• IUPAC Name: (2R,3S)-2,3,4-trihydroxybutanoic acid
• InChIKey: JPIJQSOTBSSVTP-STHAYSLISA-N
• INCHI: 1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
• Isomeric SMILES: C([C@@H]([C@H](C(=O)O)O)O)O
• Alternate CAS: 7306-96-9
• PubChem CID: 5460407
• MeSH Entry Terms: 2,3,4-trihydroxy-(threo)-butanoic acid;calcium l-threonate;calcium threonate;ClariMem;L-TAMS compound;L-threonic acid magnesium salt;magnesium threonate;MMFS-01;threonate;threonic acid;threonic acid, (R*,R*)-isomer;threonic acid, (R-(R*,S*))-isomer;threon

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Alpha hydroxy acids and derivatives Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Fatty acid - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: threonic acid

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

• Molecular Weight: 136.100 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 136.037 Da
• Monoisotopic Mass: 136.037 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1

References

1. Yibo Guo, Ke Shen, Xinshuai Zhang, Hua Huang.  (2023)  In vitro characterization of alternative l-threonate and d-erythronate catabolic pathways.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:38157628] [10.1016/j.bbrc.2023.149440]