1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-acetyl-4-piperidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-

Base Information

• Chemical Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-acetyl-4-piperidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-
• CAS No.: 145697-93-4
• Molecular Formula: C16H22 N2 O5 S
• Molecular Weight: 354.4213
• DSSTox Substance ID: DTXSID90163138
• Wikidata: Q76278786
• Mol file: 145697-93-4.mol

Synonyms:1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-acetyl-4-piperidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-;145697-93-4;DTXSID90163138;LS-22359

Chemical Property of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-acetyl-4-piperidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-

Chemical Property:

• Vapor Pressure: 4.02E-18mmHg at 25°C
• Boiling Point: 622.8°C at 760 mmHg
• Flash Point: 330.5°C
• Density: 1.45g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 354.12494298
• Heavy Atom Count: 24
• Complexity: 612

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(CC3)C(=O)C)O
• Isomeric SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC3CCN(CC3)C(=O)C)O