(5S-trans)-N-((5-((4-Amino-4,6-Dideoxy-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)-D-Serine
[CAS# 131443-10-2]

Identification

• Name: (5S-trans)-N-((5-((4-Amino-4,6-Dideoxy-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)-D-Serine
• Synonyms: Pradimicin Fa 2; Pradimicin Fa-2
• Molecular Formula: C₃₉H₄₂N₂O₁₉
• Molecular Weight: 842.76
• CAS Registry Number: 131443-10-2
• SMILES: C1=C6C(=C(O)C2=C1C(=O)C3=C(C2=O)C=C(OC)C=C3O)C7=C(C(OC5OC(C(N)C(OC4OCC(O)C(O)C4O)C5O)C)C6O)C=C(C(=C7O)C(=O)NC(C(=O)O)CO)C
• InChI: 1S/C39H42N2O19/c1-10-4-16-23(30(49)20(10)36(53)41-17(8-42)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(43)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(40)11(2)58-39)60-38-32(51)29(48)19(44)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,42-44,47-52H,8-9,40H2,1-3H3,(H,41,53)(H,54,55)
• InChIKey: JNJSOWKXFVKKCL-UHFFFAOYSA-N

Properties

• Density: 1.773g/cm³ (Cal.)
• Boiling point: 1163.253°C at 760 mmHg (Cal.)
• Flash point: 657.312°C (Cal.)