N-Leucyldaunorubicin
[CAS# 23828-86-6]

Identification

• Name: N-Leucyldaunorubicin
• Synonyms: (2R)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-Amino-4-Methyl-Pentanamide; (2R)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-Amino-4-Methylpentanamide; (2R)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-Amino-4-Methyl-Valeramide
• Molecular Formula: C₃₃H₄₀N₂O₁₁
• Molecular Weight: 640.69
• CAS Registry Number: 23828-86-6
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](NC(=O)[C@H](N)CC(C)C)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)C)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)/t14-,18+,19-,21-,22-,27+,33-/m0/s1
• InChIKey: DZINNPYMYFDDHL-LRYKVSCXSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 880.858°C at 760 mmHg (Cal.)
• Flash point: 486.525°C (Cal.)