(5S-trans)-N-((5-((4,6-Dideoxy-4-(Methylamino)-3-O-beta-D-Xylopyranosyl-beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo(a)Naphthacen-2-Yl)Carbonyl)-Glycine
[CAS# 130743-10-1]

Identification

• Name: (5S-trans)-N-((5-((4,6-Dideoxy-4-(Methylamino)-3-O-beta-D-Xylopyranosyl-beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo(a)Naphthacen-2-Yl)Carbonyl)-Glycine
• Synonyms: N-((-5-O-(4,6-Dideoxy-4-(Methylamino)-3-O-(Beta-D-Xylopyranosyl)-Beta-D-Galactopyranosyl)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)Glycine
• Molecular Formula: C₃₉H₄₂N₂O₁₈
• Molecular Weight: 826.76
• CAS Registry Number: 130743-10-1
• SMILES: C1=C6C(=C(O)C2=C1C(=O)C3=C(C2=O)C=C(OC)C=C3O)C7=C(C(OC5OC(C(NC)C(OC4OCC(O)C(O)C4O)C5O)C)C6O)C=C(C(=C7O)C(=O)NCC(=O)O)C
• InChI: 1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)
• InChIKey: XTZUCVXVWVTYDG-UHFFFAOYSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 1125.058°C at 760 mmHg (Cal.)
• Flash point: 634.212°C (Cal.)