(2S,5R,6R)-6-(Hydroxy-Phenylmethyl)-3,3-Dimethyl-4,4,7-Trioxo-4lambda6-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 78494-75-4]

Identification

• Name: (2S,5R,6R)-6-(Hydroxy-Phenylmethyl)-3,3-Dimethyl-4,4,7-Trioxo-4lambda6-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-6-(Hydroxy-Phenyl-Methyl)-3,3-Dimethyl-4,4,7-Trioxo-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-(Hydroxy-Phenyl-Methyl)-4,4,7-Triketo-3,3-Dimethyl-4$L^{6}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid, 6-(Hydroxyphenylmethyl)-3,3-Dimethyl-7-Oxo-, 4,4-Dioxide, (2S-(2Alpha,5Alpha,6Beta(R*)))-
• Molecular Formula: C₁₅H₁₇NO₆S
• Molecular Weight: 339.36
• CAS Registry Number: 78494-75-4
• SMILES: [C@H]1(N2[C@H]([S](C1(C)C)(=O)=O)[C@@H](C2=O)C(C3=CC=CC=C3)O)C(=O)O
• InChI: 1S/C15H17NO6S/c1-15(2)11(14(19)20)16-12(18)9(13(16)23(15,21)22)10(17)8-6-4-3-5-7-8/h3-7,9-11,13,17H,1-2H3,(H,19,20)/t9-,10?,11+,13-/m1/s1
• InChIKey: YJZNAALQLKUXNT-JERFEKOUSA-N

Properties

• Density: 1.558g/cm³ (Cal.)
• Boiling point: 667.832°C at 760 mmHg (Cal.)
• Flash point: 357.692°C (Cal.)