(6R,7S)-3-(Acetyloxymethyl)-7-Azaniumyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 68090-55-1]

Identification

• Name: (6R,7S)-3-(Acetyloxymethyl)-7-Azaniumyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (6S,7R)-3-(Acetoxymethyl)-7-Azaniumyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6S,7R)-3-(Acetoxymethyl)-7-Ammonio-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6S,7R)-3-(Acetoxymethyl)-7-Ammonio-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₀H₁₂N₂O₅S
• Molecular Weight: 272.28
• CAS Registry Number: 68090-55-1
• SMILES: [C@@H]12SCC(=C(N1C(=O)[C@H]2[NH3+])C([O-])=O)COC(=O)C
• InChI: 1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9+/m1/s1
• InChIKey: HSHGZXNAXBPPDL-MUWHJKNJSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 560.619°C at 760 mmHg (Cal.)
• Flash point: 292.852°C (Cal.)