6-(1-Hydroxyethyl)-3-[(2-{(E)-[({[(4-nitrophenyl)methoxy]carbonyl}amino)methylidene]amino}ethyl)sulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Base Information

• Chemical Name: 6-(1-Hydroxyethyl)-3-[(2-{(E)-[({[(4-nitrophenyl)methoxy]carbonyl}amino)methylidene]amino}ethyl)sulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS No.: 98367-45-4
• Molecular Formula: C27H27N5O10S
• Molecular Weight: 613.61
• DSSTox Substance ID: DTXSID10694111
• Mol file: 98367-45-4.mol

Synonyms:DTXSID10694111;A845850;6-(1-Hydroxyethyl)-3-[(2-{(E)-[({[(4-nitrophenyl)methoxy]carbonyl}amino)methylidene]amino}ethyl)sulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;6-(1-hydroxyethyl)-3-[2-[[(4-nitrophenyl)methoxycarbonylamino]methyleneamino]ethylsulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;6-(1-hydroxyethyl)-3-[2-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylideneamino]ethylthio]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Chemical Property of 6-(1-Hydroxyethyl)-3-[(2-{(E)-[({[(4-nitrophenyl)methoxy]carbonyl}amino)methylidene]amino}ethyl)sulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.06E-26mmHg at 25°C
• Refractive Index: 1.711
• Boiling Point: 791.6°C at 760 mmHg
• Flash Point: 432.5°C
• PSA: 234.47000
• Density: 1.55g/cm³
• LogP: 4.43240
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 612.14003822
• Heavy Atom Count: 43
• Complexity: 1130

Purity/Quality:

99% ^*data from raw suppliers

PROTECTED IMIPENEM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C2C(C(=C(N2C1=O)C(=O)[O-])SCCN=CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-])O