(8S)-8-Acetyl-10alpha-[[3-Amino-4-O-[1-(1-Carboxyethoxy)-3-Hydroxybutyl]-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl]Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
[CAS# 64253-72-1]

Identification

• Name: (8S)-8-Acetyl-10alpha-[[3-Amino-4-O-[1-(1-Carboxyethoxy)-3-Hydroxybutyl]-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl]Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
• Synonyms: 2-[1-[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-4-Amino-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-Butoxy]Propanoic Acid; 2-[1-[[6-[(3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-4-Amino-2-Methyl-3-Tetrahydropyranyl]Oxy]-3-Hydroxybutoxy]Propanoic Acid; 2-[1-[6-[(3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl)Oxy]-4-Amino-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-Butoxy]Propionic Acid
• Molecular Formula: C₃₄H₄₁NO₁₄
• Molecular Weight: 687.70
• CAS Registry Number: 64253-72-1
• SMILES: C1=CC=C(OC)C5=C1C(=O)C2=C(C(=C3C(=C2O)CC(O)(CC3OC4OC(C(OC(OC(C(=O)O)C)CC(O)C)C(N)C4)C)C(=O)C)O)C5=O
• InChI: 1S/C34H41NO14/c1-13(36)9-22(47-15(3)33(42)43)49-32-14(2)46-23(10-19(32)35)48-21-12-34(44,16(4)37)11-18-25(21)31(41)27-26(29(18)39)28(38)17-7-6-8-20(45-5)24(17)30(27)40/h6-8,13-15,19,21-23,32,36,39,41,44H,9-12,35H2,1-5H3,(H,42,43)
• InChIKey: FEMNWPQDEXLDKE-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 937.274°C at 760 mmHg (Cal.)
• Flash point: 520.645°C (Cal.)