(6R-trans)-3-(Acetoxymethyl)-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid, Mono(Toluene-p-Sulphonate)
[CAS# 5203-31-6]

Identification

• Name: (6R-trans)-3-(Acetoxymethyl)-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid, Mono(Toluene-p-Sulphonate)
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 4-Methylbenzenesulfonic Acid; (6R,7R)-3-(Acetoxymethyl)-7-Amino-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₁₇H₂₀N₂O₈S₂
• Molecular Weight: 444.47
• CAS Registry Number: 5203-31-6
• EINECS: 225-994-5
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2N)C(=O)O)COC(=O)C.C3=C([S](=O)(=O)O)C=CC(=C3)C
• InChI: 1S/C10H12N2O5S.C7H8O3S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h6,9H,2-3,11H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10)/t6-,9-;/m1./s1
• InChIKey: FCITVMLDLLRANI-SOWVLMPRSA-N

Properties

• Boiling point: 560.6°C at 760 mmHg (Cal.)
• Flash point: 292.9°C (Cal.)