4-Demethyl-6-Deoxydoxorubicin
[CAS# 96597-11-4]

Identification

• Name: 4-Demethyl-6-Deoxydoxorubicin
• Synonyms: (9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,9,11-Trihydroxy-9-(2-Hydroxy-
• Molecular Formula: C₂₆H₂₇NO₁₀
• Molecular Weight: 513.50
• CAS Registry Number: 96597-11-4
• SMILES: [C@@]2(O)(CC3=C(C(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2)C=C5C(=C3O)C(=O)C4=CC=CC(=C4C5=O)O)C(=O)CO
• InChI: 1S/C26H27NO10/c1-10-22(31)15(27)6-19(36-10)37-17-8-26(35,18(30)9-28)7-14-12(17)5-13-21(25(14)34)23(32)11-3-2-4-16(29)20(11)24(13)33/h2-5,10,15,17,19,22,28-29,31,34-35H,6-9,27H2,1H3/t10-,15-,17?,19-,22+,26-/m0/s1
• InChIKey: CLPPFSCIEQCSCH-DDHJQGOLSA-N

Properties

• Density: 1.63g/cm³ (Cal.)
• Boiling point: 807.366°C at 760 mmHg (Cal.)
• Flash point: 442.079°C (Cal.)