Z-Thr-OMe - ≥98% , CAS No.57224-63-2

CAS: 57224-63-2 Cat. No.: Z134064 Peso molecular: 267.28 Beilstein Registry Number: 2220800 PubChem CID: 2733409

GRADE & PURITY ≥98%

Synonyms

N-Benzyloxycarbonyl-L-threonine methyl ester | N-Carbobenzyloxy-L-threonine methyl ester | Z-L-Threonine methyl ester

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-Benzyloxycarbonyl-L-threonine methyl ester | N-Carbobenzyloxy-L-threonine methyl ester | Z-L-Threonine methyl ester

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192399
• Sonrisas canónicas: CC(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O
• IUPAC Name: methyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
• InChIKey: OPZWAOJFQFYYIX-KOLCDFICSA-N
• INCHI: 1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m1/s1
• Isómeros SMILES: C[C@H]([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O
• WGK Alemania: 3
• PubChem CID: 2733409
• Peso molecular: 267.28
• Beilstein: 2220800

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: Benzyloxycarbonyls Fatty acid esters Beta hydroxy acids and derivatives Methyl esters Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Hydroxy acid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Carbonic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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

• Sensibilidad: Air sensitive
• Rotación específica [α]: [α]25/D −18°, c = 1 in methanol
• Punto de fusión (°C): 92-94 °C (lit.)
• Peso molecular: 267.280 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 267.111 Da
• Monoisotopic Mass: 267.111 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 301.000
• 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