(5R,6R)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-6-(2-Hydroxypropan-2-Yl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 76025-73-5]

Identification

• Name: (5R,6R)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-6-(2-Hydroxypropan-2-Yl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(1-Hydroxy-1-Methyl-Ethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(1-Hydroxy-1-Methylethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(1-Hydroxy-1-Methyl-Ethyl)-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₈N₂O₆S
• Molecular Weight: 342.37
• CAS Registry Number: 76025-73-5
• SMILES: [S@](=O)(C2=C(N1[C@@H]([C@@H](C1=O)C(O)(C)C)C2)C(=O)O)\C=C\NC(=O)C
• InChI: 1S/C14H18N2O6S/c1-7(17)15-4-5-23(22)9-6-8-10(14(2,3)21)12(18)16(8)11(9)13(19)20/h4-5,8,10,21H,6H2,1-3H3,(H,15,17)(H,19,20)/b5-4+/t8-,10+,23-/m1/s1
• InChIKey: FWWJFXYMDLTDNO-BBCPMLLOSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 691.786°C at 760 mmHg (Cal.)
• Flash point: 372.179°C (Cal.)