Adriamycinol
[CAS# 54193-28-1]

Identification

• Name: Adriamycinol
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₃₁NO₁₁
• Molecular Weight: 545.54
• CAS Registry Number: 54193-28-1
• SMILES: [C@@]5(CC3=C(C1=C(C(=O)C2=C(C1=O)C=CC=C2OC)C(=C3[C@@H](O[C@@H]4O[C@@H](C)[C@H]([C@H](C4)N)O)C5)O)O)([C@@H](O)CO)O
• InChI: 1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1
• InChIKey: NKZRZOVSJNSBFR-FEMMEMONSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 828.681°C at 760 mmHg (Cal.)
• Flash point: 454.97°C (Cal.)