Trifluoroacetyldaunomycin
[CAS# 26388-52-3]

Identification

• Name: Trifluoroacetyldaunomycin
• Synonyms: N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-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-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-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-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-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: C₂₉H₂₈F₃NO₁₁
• Molecular Weight: 623.54
• CAS Registry Number: 26388-52-3
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](NC(=O)C(F)(F)F)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)C)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C29H28F3NO11/c1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)/t10-,14-,16-,17-,22+,28-/m0/s1
• InChIKey: VOASREXNXKOKBP-HWJSKKJZSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 816.971°C at 760 mmHg (Cal.)
• Flash point: 447.888°C (Cal.)