1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-ethyl-7-oxo-, triphenylmethyl ester

Base Information

• Chemical Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-ethyl-7-oxo-, triphenylmethyl ester
• CAS No.: 72615-17-9
• Molecular Formula: C32H30 N2 O4 S
• Molecular Weight: 0
• Mol file: 72615-17-9.mol

Synonyms:Antibiotic PS 7 trityl ester;1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-ethyl-7-oxo-, triphenylmethyl ester;72615-17-9;C32H30N2O4S;C32-H30-N2-O4-S;LS-22355

Chemical Property of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-ethyl-7-oxo-, triphenylmethyl ester

Chemical Property:

• Vapor Pressure: 1.76E-20mmHg at 25°C
• Boiling Point: 718.2°C at 760 mmHg
• Flash Point: 388.2°C
• PSA: 104.50000
• Density: 1.3g/cm³
• LogP: 6.49270
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 538.19262862
• Heavy Atom Count: 39
• Complexity: 927

Purity/Quality:

3-((2-(ACETYLAMINO)ETHENYL)THIO)-6-ETHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID TRIPHENYLMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC(=C(N2C1=O)C(=O)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC=CNC(=O)C
• Isomeric SMILES: CCC1C2CC(=C(N2C1=O)C(=O)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S/C=C/NC(=O)C