N-Trifluoroacetyladriamycin-14-O-Hemiadipate
[CAS# 80787-29-7]

Identification

• Name: N-Trifluoroacetyladriamycin-14-O-Hemiadipate
• Synonyms: 6-Oxo-6-[2-Oxo-2-[2,5,12-Trihydroxy-4-[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoroacetyl)Amino]Tetrahydropyran-2-Yl]Oxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]Ethoxy]Hexanoic Acid; 6-Oxo-6-[2-Oxo-2-[2,5,12-Trihydroxy-4-[[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]-2-Tetrahydropyranyl]Oxy]-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]Ethoxy]Hexanoic Acid; 6-Keto-6-[2-Keto-2-[2,5,12-Trihydroxy-4-[5-Hydroxy-6-Methyl-4-[(2,2,2-Trifluoroacetyl)Amino]Tetrahydropyran-2-Yl]Oxy-6,11-Diketo-7-Methoxy-3,4-Dihydro-1H-Tetracen-2-Yl]Ethoxy]Hexanoic Acid
• Molecular Formula: C₃₅H₃₆F₃NO₁₅
• Molecular Weight: 767.66
• CAS Registry Number: 80787-29-7
• SMILES: C5=CC=C4C(=O)C2=C(C(=C1C(CC(CC1=C2O)(O)C(=O)COC(=O)CCCCC(O)=O)OC3CC(NC(=O)C(F)(F)F)C(O)C(C)O3)O)C(=O)C4=C5OC
• InChI: 1S/C35H36F3NO15/c1-14-28(44)17(39-33(49)35(36,37)38)10-23(53-14)54-19-12-34(50,20(40)13-52-22(43)9-4-3-8-21(41)42)11-16-25(19)32(48)27-26(30(16)46)29(45)15-6-5-7-18(51-2)24(15)31(27)47/h5-7,14,17,19,23,28,44,46,48,50H,3-4,8-13H2,1-2H3,(H,39,49)(H,41,42)
• InChIKey: WWEOUUXDYBGPLE-UHFFFAOYSA-N

Properties

• Density: 1.6g/cm³ (Cal.)
• Boiling point: 952.547°C at 760 mmHg (Cal.)
• Flash point: 529.881°C (Cal.)