N-(tert-Butoxycarbonyl)-D-threonine - ≥98% , CAS No.55674-67-4

CAS: 55674-67-4 Cat. No.: B111408 Peso molecular: 219.23

GRADE & PURITY ≥98%

Synonyms

(2R,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid | (2R,3s)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid | N-ALPHA-TERT-BUTOXYCARBONYL-D-THREONINE;Boc-D-Thr-OH | F10935 | Boc-D-Threonine | N-ALPHA-TERT-BUTOXYCARBONYL-D-TH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application:

It is known to inhibit growth and cell wall synthesis of Mycobacterium smegmatis. Also used as a synthetic intermediate for the production of chiral antibiotics.

Specifications

Sinónimos

(2R, 3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid | (2R, 3s)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid | N-ALPHA-TERT-BUTOXYCARBONYL-D-THREONINE;Boc-D-Thr-OH | F10935 | Boc-D-Threonine | N-ALPHA-TERT-BUTOXYCARBONYL-D-TH

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195934
• Sonrisas canónicas: CC(C(C(=O)O)NC(=O)OC(C)(C)C)O
• IUPAC Name: (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
• InChIKey: LLHOYOCAAURYRL-NTSWFWBYSA-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+/m0/s1
• Isómeros SMILES: C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)O
• Peso molecular: 219.23
• 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
    • 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: Short-chain hydroxy acids and derivatives Hydroxy fatty acids Branched fatty acids Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids 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 - Fatty acyl - Fatty acid - Hydroxy acid - Carbamic acid ester - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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: 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

• Solubilidad: Slightly soluble in water.
• Rotación específica [α]: 9 ° (C=1, AcOH)
• Punto de fusión (°C): 81°C
• Peso molecular: 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