N-Boc-L-threonine - ≥99%(HPLC) , CAS No.2592-18-9

CAS: 2592-18-9 Cat. No.: B615342 Molecular Weight: 219.23 Beilstein Registry Number: 2051735 EC Number: 219-987-6

GRADE & PURITY ≥99%(HPLC)

Synonyms

STR09883 | (2S,3R)-2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoicacid | AKOS015892681 | N-Boc-L-threonine | t-butoxycarbonyl threonine | (2S,3R)-2-tert-butoxycarbonylamino-3-hydroxy-butyric acid | HY-W012437 | N-(t-Butyloxycarbonyl)-L-threonine | N-[(1,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

STR09883 | (2S, 3R)-2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoicacid | AKOS015892681 | N-Boc-L-threonine | t-butoxycarbonyl threonine | (2S, 3R)-2-tert-butoxycarbonylamino-3-hydroxy-butyric acid | HY-W012437 | N-(t-Butyloxycarbonyl)-L-threonine | N-[(1,

Specifications & Purity

≥99%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C(C(=O)O)NC(=O)OC(C)(C)C)O
• IUPAC Name: (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
• InChIKey: LLHOYOCAAURYRL-RITPCOANSA-N
• INCHI: 1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)/t5-,6+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)O
• WGK Germany: 3
• Molecular Weight: 219.23
• Beilstein: 2051735
• Reaxy-Rn: 4136841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4136841&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Hydroxy fatty acids Branched fatty acids Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Beta-hydroxy acid - Branched fatty acid - Short-chain hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -7 ° (C=1, AcOH)
• Melt Point(°C): 80-82°C
• Molecular Weight: 219.230 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 219.111 Da
• Monoisotopic Mass: 219.111 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• 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. Zhanpeng Ren, Jianying Wang, Chenglong Xue, Minghua Deng, Haiyang Yu, Tianci Lin, Jiayuan Zheng, Rongxiang He, Xianbao Wang, Jinhua Li.  (2023)  Ultrahighly Sensitive and Selective Glutathione Sensor Based on Carbon Dot-Functionalized Solution-Gate Graphene Transistor.  ANALYTICAL CHEMISTRY,      [PMID:37971943] [10.1021/acs.analchem.3c03656]

2. Yuting Li, Xiaotong Li, Jinshun Ye, Zhenzhao Weng, Xiaozhen Liu, Fengyuan Liu, Jingkun Yan, Lin Li.  (2024)  Reactivity of amino acid residues towards 4-methylbenzoquinone: Effect on the site-specificity of quinone-protein reaction.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116217]