N-Trifluoroacetyladriamycin
[CAS# 26295-56-7]

Identification

• Name: N-Trifluoroacetyladriamycin
• Synonyms: 2,2,2-Trifluoro-N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]Acetamide; 2,2,2-Trifluoro-N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]Acetamide; 2,2,2-Trifluoro-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Acetamide
• Molecular Formula: C₂₉H₂₈F₃NO₁₂
• Molecular Weight: 639.53
• CAS Registry Number: 26295-56-7
• 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)C4=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C29H28F3NO12/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-,17-,22+,28-/m0/s1
• InChIKey: RQIOYWADAKTIJC-XUKKXQNXSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 855.403°C at 760 mmHg (Cal.)
• Flash point: 471.131°C (Cal.)