(3R,4S)-3-Hidroxi-4-fenilacetidin-2-ona - ≥98% , CAS No.132127-34-5

CAS: 132127-34-5 Cat. No.: R302386 Peso molecular: 163.176 Número EC: 833-742-6 PubChem CID: 10219589

GRADE & PURITY ≥98%

Synonyms

H1656 | (3R,4S)-3-Hydroxy-4-phenylazetidin-2-one | MFCD07368374 | (3R-cis)-3-Hydroxy-4-phenyl-2-azetidinone | AMY16033 | FBZSDKXFQUKDLD-JGVFFNPUSA-N | (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone | 2-Azetidinone, 3-hydroxy-4-phenyl-, (3R,4S)- | J-501264 | DS-

Storage

Conservar a 2-8°C,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

H1656 | (3R, 4S)-3-Hydroxy-4-phenylazetidin-2-one | MFCD07368374 | (3R-cis)-3-Hydroxy-4-phenyl-2-azetidinone | AMY16033 | FBZSDKXFQUKDLD-JGVFFNPUSA-N | (3R, 4S)-3-Hydroxy-4-phenyl-2-azetidinone | 2-Azetidinone, 3-hydroxy-4-phenyl-, (3R, 4S)- | J-501264 | DS-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Desecado

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765332
• Sonrisas canónicas: C1=CC=C(C=C1)C2C(C(=O)N2)O
• IUPAC Name: (3R,4S)-3-hydroxy-4-phenylazetidin-2-one
• InChIKey: FBZSDKXFQUKDLD-JGVFFNPUSA-N
• INCHI: 1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)O
• PubChem CID: 10219589
• Peso molecular: 163.176

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Phenylazetidines Benzene and substituted derivatives Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monobactam - 2-phenylazetidine - Monocyclic benzene moiety - Benzenoid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
• 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: Heat Sensitive
• Rotación específica [α]: [α]D:184° (C=1,MeOH)
• Punto de ebullición (°C): 430.414°C
• Punto de fusión (°C): 187-188°C
• Peso molecular: 163.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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