N-(4-Nitrophenylsulfonyl)-L-phenylalanyl Chloride [Optical Resolving Reagent] - ≥98%(T) , CAS No.146815-23-8

CAS: 146815-23-8 Cat. No.: N159724 Peso molecular: 368.79 Número EC: 678-293-5 PubChem CID: 11406014

GRADE & PURITY ≥98%(T)

Synonyms

N-(4-Nitrophenylsulfonyl)-L-phenylalanyl Chloride [Optical Resolving Reagent] | D91735 | N-(4-NITROPHENYLSULFONYL)-L-PHENYLALANYLCHLORIDE | N-(p-Nitrophenylsulfonyl)-l-phenylalanyl chloride | 2-([(4-Nitrophenyl)sulfonyl]amino)-3-phenylpropanoyl chloride #

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(4-Nitrophenylsulfonyl)-L-phenylalanyl Chloride [Optical Resolving Reagent] | D91735 | N-(4-NITROPHENYLSULFONYL)-L-PHENYLALANYLCHLORIDE | N-(p-Nitrophenylsulfonyl)-l-phenylalanyl chloride | 2-([(4-Nitrophenyl)sulfonyl]amino)-3-phenylpropanoyl chloride #

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CC(C(=O)Cl)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: (2S)-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoyl chloride
• InChIKey: RYQIQECSYJRDBT-AWEZNQCLSA-N
• INCHI: 1S/C15H13ClN2O5S/c16-15(19)14(10-11-4-2-1-3-5-11)17-24(22,23)13-8-6-12(7-9-13)18(20)21/h1-9,14,17H,10H2/t14-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)Cl)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• PubChem CID: 11406014
• Peso molecular: 368.79
• Reaxy-Rn: 8080521

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: Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Organic oxoazanium compounds Acyl chlorides Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Amphetamine or derivatives - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acyl chloride - Acyl halide - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic cation - 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: 368.800 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 368.023 Da
• Monoisotopic Mass: 368.023 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 543.000
• 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