Methyl 4-({4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-1,2,3,4,6,1 1-hexahydro-1-tetracenecarboxylate
[CAS# 86670-20-4]

Identification

• Name: Methyl 4-({4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-1,2,3,4,6,1 1-hexahydro-1-tetracenecarboxylate
• Synonyms: 3''-O-Acetyl-2-hydroxyaclacinomycin
• Molecular Formula: C₄₄H₅₅NO₁₇
• Molecular Weight: 869.90
• CAS Registry Number: 86670-20-4
• SMILES: O=C2c1cc7c(c(O)c1C(=O)c3c2cc(O)cc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(OC(=O)C)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7C(=O)OC
• InChI: 1S/C44H55NO17/c1-9-44(54)17-30(35-23(37(44)43(53)55-8)14-25-36(40(35)52)39(51)34-24(38(25)50)12-22(47)13-28(34)49)60-32-15-26(45(6)7)41(19(3)57-32)62-33-16-29(59-21(5)46)42(20(4)58-33)61-31-11-10-27(48)18(2)56-31/h12-14,18-20,26,29-33,37,41-42,47,49,52,54H,9-11,15-17H2,1-8H3
• InChIKey: PHBWROLTIPXDSU-UHFFFAOYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 933.375°C at 760 mmHg (Cal.)
• Flash point: 518.286°C (Cal.)