H-Allo-thr(tbu)-oh - ≥95% , CAS No.201353-89-1

CAS: 201353-89-1 Cat. No.: H182563 Peso molecular: 175.2

GRADE & PURITY ≥95%

Synonyms

A879817 | HY-W051351 | SCHEMBL8352984 | O-t-Butyl-L-allo-threonine | (2S,3S)-2-amino-3-(tert-butoxy)butanoic acid | MFCD00237373 | Z335GQX4M3 | O-t-Butyl-L-threonine | H-ALLO-THR(TBU)-OH | (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid | L-Allo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A879817 | HY-W051351 | SCHEMBL8352984 | O-t-Butyl-L-allo-threonine | (2S, 3S)-2-amino-3-(tert-butoxy)butanoic acid | MFCD00237373 | Z335GQX4M3 | O-t-Butyl-L-threonine | H-ALLO-THR(TBU)-OH | (2S, 3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid | L-Allo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C(C(=O)O)N)OC(C)(C)C
• IUPAC Name: (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
• InChIKey: NMJINEMBBQVPGY-WDSKDSINSA-N
• INCHI: 1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6-/m0/s1
• Isómeros SMILES: C[C@@H]([C@@H](C(=O)O)N)OC(C)(C)C
• Peso molecular: 175.2
• Reaxy-Rn: 2206126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206126&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 acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Branched fatty acids Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Branched fatty acid - Fatty acid - Fatty acyl - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

• Peso molecular: 175.230 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 175.121 Da
• Monoisotopic Mass: 175.121 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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