Methyl 3,8,10,12-Tetrahydroxy-1-Methyl-6,11-Dioxo-6,11-Dihydro-2-Tetracenecarboxylate
[CAS# 104513-07-7]

Identification

• Name: Methyl 3,8,10,12-Tetrahydroxy-1-Methyl-6,11-Dioxo-6,11-Dihydro-2-Tetracenecarboxylate
• Synonyms: 2-naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-, methyl ester; methyl 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylate; tetracenomycin D3 methyl ester
• Molecular Formula: C₂₁H₁₄O₈
• Molecular Weight: 394.33
• CAS Registry Number: 104513-07-7
• SMILES: O=C4c1cc(O)cc(O)c1C(=O)c3c(O)c2c(cc(O)c(c2C)C(=O)OC)cc34
• InChI: 1S/C21H14O8/c1-7-14-8(4-12(23)15(7)21(28)29-2)3-10-17(19(14)26)20(27)16-11(18(10)25)5-9(22)6-13(16)24/h3-6,22-24,26H,1-2H3
• InChIKey: RQYUIUSZANHVJK-UHFFFAOYSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 689.286°C at 760 mmHg (Cal.)
• Flash point: 249.767°C (Cal.)
• Refractive index: 1.775 (Cal.)