Boc-Asn-OH - ≥98.5%(T) , CAS No.7536-55-2

CAS: 7536-55-2 Cat. No.: B113133 Peso molecular: 232.23 Beilstein Registry Number: 1977963 Número EC: 231-405-2

GRADE & PURITY ≥98.5%(T)

Synonyms

Boc-L-asparagine | N~2~-(tert-butoxycarbonyl)-L-asparagine | (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid | EINECS 231-405-2 | N2-((1,1-Dimethylethoxy)carbonyl)-L-asparagine | L-Asparagine, N(2)-[(1,1-dimethylethoxy)carbonyl]-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-L-asparagine | N~2~-(tert-butoxycarbonyl)-L-asparagine | (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid | EINECS 231-405-2 | N2-((1, 1-Dimethylethoxy)carbonyl)-L-asparagine | L-Asparagine, N(2)-[(1, 1-dimethylethoxy)carbonyl]-

Especificaciones y pureza

≥98.5%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98.5%(T)

Nombres e identificadores

• Pubchem Sid: 488186037
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186037
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O
• IUPAC Name: (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: FYYSQDHBALBGHX-YFKPBYRVSA-N
• INCHI: 1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)O
• WGK Alemania: 3
• Peso molecular: 232.23
• Beilstein: 1977963
• Reaxy-Rn: 2216416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Branched fatty acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Fatty acid - Fatty acyl - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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: L-asparagine derivative

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

Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: -7 ° (C=1, DMF)
• Punto de fusión (°C): 173-175°C
• Peso molecular: 232.230 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 232.106 Da
• Monoisotopic Mass: 232.106 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295.000
• 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: 1

Referencias

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]