N-(Benzyloxycarbonyl)-D-serine-β-lactone - ≥98% , CAS No.98632-91-8

CAS: 98632-91-8 Cat. No.: N405550 Peso molecular: 221.21 Número EC: 866-232-7

GRADE & PURITY ≥98%

Synonyms

Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, phenylmethyl ester | BDBM50389008 | AKOS015998589 | 4-HYDROXY-1-(TOLUENE-4-SULFONYL)-PYRROLIDINE-2-CARBOXYLICACID | N-Carbobenzyloxy-D-serine-beta-lactone | (R)-benzyl 2-oxooxetan-3-ylcarbamate;N-Carbobenzyloxy-D-s

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, phenylmethyl ester | BDBM50389008 | AKOS015998589 | 4-HYDROXY-1-(TOLUENE-4-SULFONYL)-PYRROLIDINE-2-CARBOXYLICACID | N-Carbobenzyloxy-D-serine-beta-lactone | (R)-benzyl 2-oxooxetan-3-ylcarbamate;N-Carbobenzyloxy-D-s

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189934
• Sonrisas canónicas: C1C(C(=O)O1)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-[(3R)-2-oxooxetan-3-yl]carbamate
• InChIKey: CWFZPRQDHIUBDO-SECBINFHSA-N
• INCHI: 1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m1/s1
• Isómeros SMILES: C1[C@H](C(=O)O1)NC(=O)OCC2=CC=CC=C2
• Peso molecular: 221.21
• Reaxy-Rn: 19352773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19352773&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 Carbamate esters Beta propiolactones Oxetanes Organic carbonic acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Beta_propiolactone - Carbamic acid ester - Carboxylic acid ester - Oxetane - Lactone - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 133 °C
• Peso molecular: 221.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 221.069 Da
• Monoisotopic Mass: 221.069 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 273.000
• 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