(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone - ≥97% , CAS No.149249-91-2

CAS: 149249-91-2 Cat. No.: R419407 Peso molecular: 381.55 PubChem CID: 10500068

GRADE & PURITY ≥97%

Synonyms

F13009 | MFCD08273950 | (3R, 4S)-1-Benzoyl-4-phenyl-3-triethylsilyloxy-2-azetidinone | (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one | AC-23878 | (3R,4S)-1-Benzoyl-4-phenyl-3-((triethylsilyl)oxy)azetidin-2-one | SCHEMBL4366611 | AMY16037 | D

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

F13009 | MFCD08273950 | (3R, 4S)-1-Benzoyl-4-phenyl-3-triethylsilyloxy-2-azetidinone | (3R, 4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one | AC-23878 | (3R, 4S)-1-Benzoyl-4-phenyl-3-((triethylsilyl)oxy)azetidin-2-one | SCHEMBL4366611 | AMY16037 | D

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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: CC[Si](CC)(CC)OC1C(N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (3R,4S)-1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
• InChIKey: PMFXBVOLZORTNG-VQTJNVASSA-N
• INCHI: 1S/C22H27NO3Si/c1-4-27(5-2,6-3)26-20-19(17-13-9-7-10-14-17)23(22(20)25)21(24)18-15-11-8-12-16-18/h7-16,19-20H,4-6H2,1-3H3/t19-,20+/m0/s1
• Isómeros SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 10500068
• Peso molecular: 381.55

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 Benzoic acids and derivatives Benzoyl derivatives N-substituted carboxylic acid imides Trialkylheterosilanes Dicarboximides Silyl ethers Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monobactam - 2-phenylazetidine - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Trialkylheterosilane - Carboxylic acid imide - Dicarboximide - Azetidine - Silyl ether - Organoheterosilane - Carboxylic acid derivative - Azacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organosilicon compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen 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

• Peso molecular: 381.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 381.176 Da
• Monoisotopic Mass: 381.176 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 513.000
• 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

XLogP3