(5R,6S)-3-[(2-Acetamidoethyl)sulfinyl]-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 87695-64-5]

Identification

• Name: (5R,6S)-3-[(2-Acetamidoethyl)sulfinyl]-6-(2-hydroxy-2-propanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((2-acetylamino)ethyl)sulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-, (5R-(3(R*),α,6β))-; 3-(2-Acetamidoethylsulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
• Molecular Formula: C₁₄H₂₀N₂O₆S
• Molecular Weight: 344.38
• CAS Registry Number: 87695-64-5
• SMILES: O=C(NCCS(=O)/C2=C(\C(=O)O)N1C(=O)[C@H](C(O)(C)C)[C@H]1C2)C
• InChI: 1S/C14H20N2O6S/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/h8,10,21H,4-6H2,1-3H3,(H,15,17)(H,19,20)/t8-,10-,23?/m1/s1
• InChIKey: SZSFOKCNKPUNLN-IYZYODNVSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 711.333°C at 760 mmHg (Cal.)
• Flash point: 384.001°C (Cal.)