Éster metílico de formil-L-fenilalanina - ≥95% , CAS No.2311-21-9

CAS: 2311-21-9 Cat. No.: F339430 Peso molecular: 207.23

GRADE & PURITY ≥95%

Synonyms

MFCD00153453 | For-Phe-OMe | (S)-metil2-formamido-3-fenilpropanoato | (S)-metil 2-formamido-3-fenilpropanoato | OPHMCBWUQRAKEO-JTQLQIEISA-N | DTXSID90426831 | N-formilfenilalanina éster metílico | Formil-L-fenilalanina éster metílico | METIL (2S)-2-FOR

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

MFCD00153453 | For-Phe-OMe | (S)-metil2-formamido-3-fenilpropanoato | (S)-metil 2-formamido-3-fenilpropanoato | OPHMCBWUQRAKEO-JTQLQIEISA-N | DTXSID90426831 | N-formilfenilalanina éster metílico | Formil-L-fenilalanina éster metílico | METIL (2S)-2-FOR

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504764558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764558
• Sonrisas canónicas: COC(=O)C(CC1=CC=CC=C1)NC=O
• IUPAC Name: methyl (2S)-2-formamido-3-phenylpropanoate
• InChIKey: OPHMCBWUQRAKEO-JTQLQIEISA-N
• INCHI: 1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1
• Isómeros SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC=O
• Peso molecular: 207.23
• Reaxy-Rn: 2939099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2939099&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 Phenylalanine 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 - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters N-formyl-alpha amino acids Amphetamines and derivatives Fatty acid esters Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 207.230 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.09 Da
• Monoisotopic Mass: 207.09 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 212.000
• 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