Ester metílico de Z-L-alanina - ≥95% , CAS No.28819-05-8

CAS: 28819-05-8 Cat. No.: N135427 Peso molecular: 237.25

GRADE & PURITY ≥95%

Synonyms

J-300007 | methyl (2S)-2-(phenylmethoxycarbonylamino)propanoate | A847866 | N-cbz-l-alanine methyl ester | Z-Ala-OMe | FD21020 | HY-W012139 | N-carbobenzyloxy-L-alanine methyl ester | CBZ-Ala-OMe | Cbz-L-alanine methyl ester | L-Alanine, N-[(phenylmethoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-300007 | methyl (2S)-2-(phenylmethoxycarbonylamino)propanoate | A847866 | N-cbz-l-alanine methyl ester | Z-Ala-OMe | FD21020 | HY-W012139 | N-carbobenzyloxy-L-alanine methyl ester | CBZ-Ala-OMe | Cbz-L-alanine methyl ester | L-Alanine, N-[(phenylmethoxy

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504764448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764448
• Sonrisas canónicas: CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1
• IUPAC Name: methyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
• InChIKey: OMDVFTVXPVXANK-VIFPVBQESA-N
• INCHI: 1S/C12H15NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)/t9-/m0/s1
• Isómeros SMILES: C[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1
• Peso molecular: 237.25
• Reaxy-Rn: 2057235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057235&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: Alanine and derivatives Benzyloxycarbonyls Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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

• Peso molecular: 237.250 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.1 Da
• Monoisotopic Mass: 237.1 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 261.000
• 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. Hui Li, Yan Ni, Xun Cao, Xun He, Ganlu Li, Kequan Chen, Pingkai Ouyang, Jianming Yang, Weiming Tan.  (2019)  Highly active nanobiocatalysis in deep eutectic solvents via metal-driven enzyme-surfactant nanocomposite.  JOURNAL OF BIOTECHNOLOGY,      [PMID:30690095] [10.1016/j.jbiotec.2019.01.010]