N(1)-Pentadecanoyl-N(3'')-Trifluoracetylkanamycin A
[CAS# 92396-07-1]

Identification

• Name: N(1)-Pentadecanoyl-N(3'')-Trifluoracetylkanamycin A
• 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]Pentadecanamide; N-[5-Amino-4-[[6-(Aminomethyl)-3,4,5-Trihydroxy-2-Tetr
• Molecular Formula: C₃₅H₆₃F₃N₄O₁₃
• Molecular Weight: 804.90
• CAS Registry Number: 92396-07-1
• SMILES: C(CCCCCCCCCCCCC)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/C35H63F3N4O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(44)41-19-15-18(40)30(54-33-28(49)27(48)25(46)20(16-39)52-33)29(50)31(19)55-32-26(47)23(24(45)21(17-43)53-32)42-34(51)35(36,37)38/h18-21,23-33,43,45-50H,2-17,39-40H2,1H3,(H,41,44)(H,42,51)
• InChIKey: QKAYGRBHBMRHEC-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 972.473°C at 760 mmHg (Cal.)
• Flash point: 541.932°C (Cal.)