(S)-Methyl 2-amino-2-(2-chlorophenyl)acetate tartaric salt - ≥98% , CAS No.141109-15-1

CAS: 141109-15-1 Cat. No.: S190850 Peso molecular: 199.6315009 Número EC: 969-094-7 PubChem CID: 71307479

GRADE & PURITY ≥98%

Synonyms

(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (2S)-2-amino-2-(2-chlorophenyl)acetate | (S)-(+)-2-(2-Chlorophenyl)glycine Methyl Ester L-Tartrate | AS-18854 | AC-28926 | (S)-(+)-2-Chlorophenylglycine Methyl Ester Tartrate Salt | Benzeneacetic acid, alpha-am

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2R, 3R)-2, 3-dihydroxybutanedioic acid;methyl (2S)-2-amino-2-(2-chlorophenyl)acetate | (S)-(+)-2-(2-Chlorophenyl)glycine Methyl Ester L-Tartrate | AS-18854 | AC-28926 | (S)-(+)-2-Chlorophenylglycine Methyl Ester Tartrate Salt | Benzeneacetic acid, alpha-am

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C(C1=CC=CC=C1Cl)N.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (2S)-2-amino-2-(2-chlorophenyl)acetate
• InChIKey: FVKGOSHITUHKGR-YIDNRZKSSA-N
• INCHI: 1S/C9H10ClNO2.C4H6O6/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;5-1(3(7)8)2(6)4(9)10/h2-5,8H,11H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m01/s1
• Isómeros SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• CAS alternativo: 141109-14-0
• PubChem CID: 71307479
• Peso molecular: 199.6315009

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: Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Chlorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Methyl esters Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organochlorides
• Molecular Framework: Not available
• Substituents: Alpha-amino acid ester - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Short-chain hydroxy acid - Aralkylamine - Sugar acid - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Benzenoid - Methyl ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Alcohol - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Primary aliphatic amine - 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: 349.720 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 349.056 Da
• Monoisotopic Mass: 349.056 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

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