(5R,6E)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-6-(1-Hydroxypropan-2-Ylidene)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 76466-24-5]

Identification

• Name: (5R,6E)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-6-(1-Hydroxypropan-2-Ylidene)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6E)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(2-Hydroxy-1-Methyl-Ethylidene)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6E)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(2-Hydroxy-1-Methylethylidene)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6E)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(2-Hydroxy-1-Methyl-Ethylidene)-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₆N₂O₆S
• Molecular Weight: 340.35
• CAS Registry Number: 76466-24-5
• SMILES: [S@](=O)(C2=C(N1[C@@H](\C(C1=O)=C(/CO)C)C2)C(=O)O)\C=C\NC(=O)C
• InChI: 1S/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23-/m1/s1
• InChIKey: KJQZKTFSANMFQJ-LUFSYTLSSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Boiling point: 747.906°C at 760 mmHg (Cal.)
• Flash point: 406.119°C (Cal.)