(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone - ≥95% , CAS No.149140-54-5

CAS: 149140-54-5 Cat. No.: R1339860 Molecular Weight: 277.43

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC[Si](CC)(CC)O[C@@H]1[C@@H](NC1=O)C2=CC=CC=C2
• IUPAC Name: (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one
• InChIKey: FZWHCVWKYWKZHE-UONOGXRCSA-N
• INCHI: 1S/C15H23NO2Si/c1-4-19(5-2,6-3)18-14-13(16-15(14)17)12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3,(H,16,17)/t13-,14+/m0/s1
• Molecular Weight: 277.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Phenylazetidines Benzene and substituted derivatives Trialkylheterosilanes Silyl ethers Secondary carboxylic acid amides Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monobactam - 2-phenylazetidine - Monocyclic benzene moiety - Benzenoid - Trialkylheterosilane - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Silyl ether - Organoheterosilane - Carboxylic acid derivative - Azacycle - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosilicon compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 277.430 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 277.15 Da
• Monoisotopic Mass: 277.15 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303.000
• 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