DL-Threonine - ≥95%(T) , CAS No.80-68-2

CAS: 80-68-2 Cat. No.: D434239 Formula: C₄H₉NO₃ Molecular Weight: 119.12 EC Number: 201-300-6

GRADE & PURITY ≥95%(T)

Synonyms

Allothreonine, D- | EINECS 205-645-3 | FT-0625423 | DTXSID301015364 | F2191-0228 | FT-0625521 | UNII-29NAP6417F | Butyric acid, alpha-amino-beta-hydroxy- | DL-allo-Threonine | Allothreonine, L- | NCGC00164520-02 | AMY25310 | F3AB6CE6-3CF9-4C81-A7D7-7C21F2

Storage

Room temperature

Specifications

Synonyms

Allothreonine, D- | EINECS 205-645-3 | FT-0625423 | DTXSID301015364 | F2191-0228 | FT-0625521 | UNII-29NAP6417F | Butyric acid, alpha-amino-beta-hydroxy- | DL-allo-Threonine | Allothreonine, L- | NCGC00164520-02 | AMY25310 | F3AB6CE6-3CF9-4C81-A7D7-7C21F2

Specifications & Purity

≥95%(T)

Storage

Room temperature

Purity

≥95%(T)

Names and Identifiers

• Canonical Smiles: C[C@H](O)[C@@H](N)C(O)=O
• IUPAC Name: 2-amino-3-hydroxybutanoic acid
• InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
• Isomeric SMILES: CC(C(C(=O)O)N)O
• Molecular Weight: 119.12
• Reaxy-Rn: 1721643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721643&ln=

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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Beta-hydroxy acid - Short-chain hydroxy acid - Hydroxy acid - Fatty acid - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: alpha-amino 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 230°C(dec.)(lit.)
• Molecular Weight: 119.120 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 119.058 Da
• Monoisotopic Mass: 119.058 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Cheng Chen, Guangzhi Zhou, Jianhua Sun, Dapeng Xu, Meixin Zhang, Zhangfa Tong, Dankui Liao.  (2023)  A controllable design of ZIF-67 based magnetic carbon nanotubes as efficient oxidase mimetics for sensitive detection of alkaline phosphatase in serum.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132578]

2. Dongbo Wang, Jingting Sang, Mingyang Wang, Dawei Luo, Dandan Han, Bowen Zhang, Jingtao Wang, Junbo Gong.  (2024)  Direct crystallization resolution of chiral compounds assisted by chiral ionic liquids through conformational matching.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130912]

3. Xiaorong Hao, Zhehao Sun, Chen Hu, Ziyi Wang, Kangning Wang, Shaokun Chong, Zongyou Yin, Zhengqing Liu, Wei Huang.  (2025)  Chiral-driven synergistic electrolyte engineering for ultrastable aqueous zinc-ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166777]

4. Sipeng Tian, Baobing Tang, Mingzi Sun, Zhangpeng Xu, Tongtong Zhai, Huanhuan Xing, Bolong Huang, Yunling Liu, Jing Li, Erkang Wang.  (2025)  Supramolecular Hydrogen-Bonding Networks Amplify Luminol/O2 Chemiluminescence by over 4000-Fold: Mechanistic Insights and Biosensing Application.  ANALYTICAL CHEMISTRY,      [PMID:40533112] [10.1021/acs.analchem.5c01821]