N-Maleyldaunomycin
[CAS# 80445-76-7]

Identification

• Name: N-Maleyldaunomycin
• Synonyms: (E)-4-[[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Amino]-4-Oxo-But-2-Enoic Acid; (E)-4-[[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]Amino]-4-Oxobut-2-Enoic Acid; (E)-4-[[6-[(3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Amino]-4-Keto-But-2-Enoic Acid
• Molecular Formula: C₃₁H₃₁NO₁₃
• Molecular Weight: 625.58
• CAS Registry Number: 80445-76-7
• SMILES: C5=C4C(=O)C1=C(C(=C2C(=C1O)CC(O)(CC2OC3OC(C(O)C(NC(=O)\C=C\C(=O)O)C3)C)C(=O)C)O)C(=O)C4=C(OC)C=C5
• InChI: 1S/C31H31NO13/c1-12-26(37)16(32-19(34)7-8-20(35)36)9-21(44-12)45-18-11-31(42,13(2)33)10-15-23(18)30(41)25-24(28(15)39)27(38)14-5-4-6-17(43-3)22(14)29(25)40/h4-8,12,16,18,21,26,37,39,41-42H,9-11H2,1-3H3,(H,32,34)(H,35,36)/b8-7+
• InChIKey: IWTSOOZLAREXSR-BQYQJAHWSA-N

Properties

• Density: 1.598g/cm³ (Cal.)
• Boiling point: 935.013°C at 760 mmHg (Cal.)
• Flash point: 519.277°C (Cal.)