1-Eicosanoyl-3''-N-(Trifluoroacetyl)Kanamycin
[CAS# 96695-80-6]

Identification

• Name: 1-Eicosanoyl-3''-N-(Trifluoroacetyl)Kanamycin
• Synonyms: N-[5-Amino-4-[6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-[3,5-Dihydroxy-6-(Hydroxymethyl)-4-[(2,2,2-Trifluoroacetyl)Amino]Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-Cyclohexyl]Icosanamide; N-[5-Amino-4-[[6-(Aminomethyl)-3,4,5-Trihydroxy-2-Tetrahyd
• Molecular Formula: C₄₀H₇₃F₃N₄O₁₃
• Molecular Weight: 875.03
• CAS Registry Number: 96695-80-6
• SMILES: C(CCCCCCCCCCCCCCCCCC)C(NC2CC(C(OC1C(C(C(C(O1)CN)O)O)O)C(C2OC3C(C(C(C(O3)CO)O)NC(C(F)(F)F)=O)O)O)N)=O
• InChI: 1S/C40H73F3N4O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(49)46-24-20-23(45)35(59-38-33(54)32(53)30(51)25(21-44)57-38)34(55)36(24)60-37-31(52)28(29(50)26(22-48)58-37)47-39(56)40(41,42)43/h23-26,28-38,48,50-55H,2-22,44-45H2,1H3,(H,46,49)(H,47,56
• InChIKey: XPKWQNJZXXITJD-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 996.719°C at 760 mmHg (Cal.)
• Flash point: 556.596°C (Cal.)