(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid - ≥97% , CAS No.23632-67-9

CAS: 23632-67-9 Cat. No.: I168887 Peso molecular: 293.27 Número EC: 623-209-4

GRADE & PURITY ≥97%

Synonyms

4-Oxazolidinepropanoic acid, 5-oxo-3-[(phenylmethoxy)carbonyl]-, (4S)- | AS-37188 | AYOCGDFDOZVEKT-NSHDSACASA-N | (S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid, 97% | (S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionicAcid | AKOS015913064 | (S)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-Oxazolidinepropanoic acid, 5-oxo-3-[(phenylmethoxy)carbonyl]-, (4S)- | AS-37188 | AYOCGDFDOZVEKT-NSHDSACASA-N | (S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid, 97% | (S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionicAcid | AKOS015913064 | (S)-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1N(C(C(=O)O1)CCC(=O)O)C(=O)OCC2=CC=CC=C2
• IUPAC Name: 3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
• InChIKey: AYOCGDFDOZVEKT-NSHDSACASA-N
• INCHI: 1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m0/s1
• Isómeros SMILES: C1N([C@H](C(=O)O1)CCC(=O)O)C(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 293.27
• Reaxy-Rn: 1225197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1225197&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: Benzyloxycarbonyls Oxazolidinones Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxazolidinone - Oxazolidine - Carbamic acid ester - Carboxylic acid ester - Lactone - Carbonic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic 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
• Índice de refracción: 1.535
• Rotación específica [α]: +88°（c = 1 in methanol）
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 293.270 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 293.09 Da
• Monoisotopic Mass: 293.09 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 404.000
• 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