3-Glycoloyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside
[CAS# 87471-33-8]

Identification

• Name: 3-Glycoloyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside
• Synonyms: 4-Demethoxy-4'-O-methyldoxorubicin; 4-DM-4'-O-methyldx
• Molecular Formula: C₂₇H₂₉NO₁₀
• Molecular Weight: 527.52
• CAS Registry Number: 87471-33-8
• SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC5OC4OC(C(OC)C(N)C4)C
• InChI: 1S/C27H29NO10/c1-11-26(36-2)15(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-19(16)25(34)21-20(24(14)33)22(31)12-5-3-4-6-13(12)23(21)32/h3-6,11,15-16,18,26,29,33-35H,7-10,28H2,1-2H3
• InChIKey: CQXYIKPCIOTYHD-UHFFFAOYSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 733.011°C at 760 mmHg (Cal.)
• Flash point: 397.111°C (Cal.)