N-Trifluoroacetyladriamycinol
[CAS# 66512-17-2]

Identification

• Name: N-Trifluoroacetyladriamycinol
• Synonyms: N-[6-[[(1S,3S)-3-(1,2-Dihydroxyethyl)-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-2,2,2-Trifluoro-Acetamide; N-[6-[[(1S,3S)-3-(1,2-Dihydroxyethyl)-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]-2,2,2-Trifluoroacetamide; N-[6-[[(1S,3S)-3-(1,2-Dihydroxyethyl)-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-2,2,2-Trifluoro-Acetamide
• Molecular Formula: C₂₉H₃₀F₃NO₁₂
• Molecular Weight: 641.55
• CAS Registry Number: 66512-17-2
• SMILES: [C@@]2(CC3=C([C@@H](OC1OC(C(C(NC(C(F)(F)F)=O)C1)O)C)C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O
• InChI: 1S/C29H30F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15-17,22,34-36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10?,13?,15-,16?,17?,22?,28-/m0/s1
• InChIKey: TWMWXCYMYAQOTO-YWSIFKHZSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 872.933°C at 760 mmHg (Cal.)
• Flash point: 481.733°C (Cal.)