Methyl 2-ethyl-2,5-dihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-tetr acenecarboxylate
[CAS# 87080-93-1]

Identification

• Name: Methyl 2-ethyl-2,5-dihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-tetr acenecarboxylate
• Synonyms: 4-Deoxyaclacinomycin A
• Molecular Formula: C₄₂H₅₃NO₁₄
• Molecular Weight: 795.87
• CAS Registry Number: 87080-93-1
• SMILES: O=C2c1cc7c(c(O)c1C(=O)c3ccccc23)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7C(=O)OC
• InChI: 1S/C42H53NO14/c1-8-42(50)18-29(33-24(35(42)41(49)51-7)15-25-34(38(33)48)37(47)23-12-10-9-11-22(23)36(25)46)55-31-16-26(43(5)6)39(20(3)53-31)57-32-17-28(45)40(21(4)54-32)56-30-14-13-27(44)19(2)52-30/h9-12,15,19-21,26,28-32,35,39-40,45,48,50H,8,13-14,16-18H2,1-7H3
• InChIKey: PITHJRRCEANNKJ-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 879.3°C at 760 mmHg (Cal.)
• Flash point: 485.583°C (Cal.)