Obafluorin
[CAS# 92121-68-1]

Identification

• Name: Obafluorin
• Synonyms: 2,3-Dihydroxy-N-[(2R,3S)-2-[(4-Nitrophenyl)Methyl]-4-Oxo-Oxetan-3-Yl]Benzamide; 2,3-Dihydroxy-N-[(2R,3S)-2-[(4-Nitrophenyl)Methyl]-4-Oxo-3-Oxetanyl]Benzamide; 2,3-Dihydroxy-N-[(3S,4R)-2-Keto-4-(4-Nitrobenzyl)Oxetan-3-Yl]Benzamide
• Molecular Formula: C₁₇H₁₄N₂O₇
• Molecular Weight: 358.31
• CAS Registry Number: 92121-68-1
• SMILES: [C@H]2(NC(=O)C1=CC=CC(=C1O)O)[C@H](OC2=O)CC3=CC=C([N+]([O-])=O)C=C3
• InChI: 1S/C17H14N2O7/c20-12-3-1-2-11(15(12)21)16(22)18-14-13(26-17(14)23)8-9-4-6-10(7-5-9)19(24)25/h1-7,13-14,20-21H,8H2,(H,18,22)/t13-,14+/m1/s1
• InChIKey: AINNQKIVZOTQBB-KGLIPLIRSA-N

Properties

• Density: 1.575g/cm³ (Cal.)
• Boiling point: 644.433°C at 760 mmHg (Cal.)
• Flash point: 343.541°C (Cal.)

References

• (1): Thomas Böttcher and Stephan A. Sieber. ß-Lactams and ß-lactones as activity-based probes in chemical biology, Med. Chem. Commun., 2012, 3, 408.