N-Boc-L-threonine methyl ester - ≥95% , CAS No.79479-07-5

CAS: 79479-07-5 Cat. No.: I134027 Peso molecular: 233.26

GRADE & PURITY ≥95%

Synonyms

N-(tert-Butoxycarbonyl)-L-threonine methyl ester, 95% | rel-(2S,3R)-methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoate | AM82246 | N-(t-butoxycarbonyl)-l-threonine methyl ester | EN300-7235886 | N-Boc-L-threonine Methyl Ester | A864850 | Q-101842 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(tert-Butoxycarbonyl)-L-threonine methyl ester, 95% | rel-(2S, 3R)-methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoate | AM82246 | N-(t-butoxycarbonyl)-l-threonine methyl ester | EN300-7235886 | N-Boc-L-threonine Methyl Ester | A864850 | Q-101842 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488197442
• Sonrisas canónicas: CC(C(C(=O)OC)NC(=O)OC(C)(C)C)O
• IUPAC Name: methyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• InChIKey: MZMWAPNVRMDIPS-RQJHMYQMSA-N
• INCHI: 1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m1/s1
• Isómeros SMILES: C[C@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O
• WGK Alemania: 3
• Peso molecular: 233.26
• Reaxy-Rn: 7205341
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7205341&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
            • Level7 Alpha amino acid esters

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Fatty acid esters Beta hydroxy acids and derivatives Methyl esters Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 206 °C
• Peso molecular: 233.260 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 233.126 Da
• Monoisotopic Mass: 233.126 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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