Kufaprim
[CAS# 90509-95-8]

Identification

• Name: Kufaprim
• Synonyms: (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; [(2R,3S)-3-Methyloxiran-2-Yl]Phosphonic Acid; (6R,7R)-7-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene
• Molecular Formula: C₁₉H₂₄N₃O₈PS
• Molecular Weight: 485.45
• CAS Registry Number: 90509-95-8
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)C.[C@H]4([P](=O)(O)O)O[C@H]4C
• InChI: 1S/C16H17N3O4S.C3H7O4P/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;1-2-3(7-2)8(4,5)6/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);2-3H,1H3,(H2,4,5,6)/t10?,11-,15-;2-,3+/m10/s1
• InChIKey: GIALBPILYZXQBK-XBJQAZQMSA-N

Properties

• Boiling point: 727.4°C at 760 mmHg (Cal.)
• Flash point: 393.7°C (Cal.)