(2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Base Information

• Chemical Name: (2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• CAS No.: 4759-25-5
• Molecular Formula: C17H20N2O5S
• Molecular Weight: 364.4161
• NSC Number: 59524
• DSSTox Substance ID: DTXSID10963879
• Mol file: 4759-25-5.mol

Synonyms:4759-25-5;NSC59524;DTXSID10963879;NSC-59524;6-[(1-Hydroxy-2-methoxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property of (2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.5E-18mmHg at 25°C
• Boiling Point: 651.3°C at 760 mmHg
• Flash Point: 347.7°C
• Density: 1.41g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 364.10929292
• Heavy Atom Count: 25
• Complexity: 575

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)OC)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)OC)C(=O)O)C

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