Pradimicin A
[CAS# 117704-65-1]

Identification

• Name: Pradimicin A
• Synonyms: D-Alanine, 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-Dioxobenz(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-; D-Alanine, 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)-, (5S-Trans)-; Prd-A
• Molecular Formula: C₄₀H₄₄N₂O₁₈
• Molecular Weight: 840.79
• CAS Registry Number: 117704-65-1
• SMILES: [C@H]4(O[C@H]2O[C@H]([C@H](NC)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H]2O)C)C7=C(C3=C(O)C5=C(C=C3[C@H]4O)C(=O)C6=C(C5=O)C=C(OC)C=C6O)C(=C(C(=C7)C)C(=O)N[C@@H](C(=O)O)C)O
• InChI: 1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13+,20+,26+,29-,30+,33-,34-,35+,36+,39+,40-/m1/s1
• InChIKey: WPICPWIIIBCXCV-YCVGMXLESA-N

Properties

• Density: 1.688g/cm³ (Cal.)
• Boiling point: 1120.269°C at 760 mmHg (Cal.)
• Flash point: 631.316°C (Cal.)