3-Fluoro-4-demethoxydaunomycin
[CAS# 118243-77-9]

Identification

• Name: 3-Fluoro-4-demethoxydaunomycin
• Synonyms: 9-Acetyl-7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Fluoro-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3-Fluoro-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-Acetyl-7-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Fluoro-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₆H₂₆FNO₉
• Molecular Weight: 515.49
• CAS Registry Number: 118243-77-9
• SMILES: C1=C(F)C=CC5=C1C(=O)C2=C(C(=C4C(=C2O)C(OC3OC(C(O)C(N)C3)C)CC(O)(C4)C(=O)C)O)C5=O
• InChI: 1S/C26H26FNO9/c1-9-21(30)15(28)6-17(36-9)37-16-8-26(35,10(2)29)7-14-18(16)25(34)20-19(24(14)33)22(31)12-4-3-11(27)5-13(12)23(20)32/h3-5,9,15-17,21,30,33-35H,6-8,28H2,1-2H3
• InChIKey: MMKVWGKEKQZJPZ-UHFFFAOYSA-N

Properties

• Density: 1.6g/cm³ (Cal.)
• Boiling point: 738.965°C at 760 mmHg (Cal.)
• Flash point: 400.712°C (Cal.)