10-Iodopradimicin A
[CAS# 153619-28-4]

Identification

• Name: 10-Iodopradimicin 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-10-Iodo-11-Methoxy-3-Methyl-8,13-Dioxobenzo[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-10-Iodo-11-Methoxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-; 10-Iodopradimicin A
• Molecular Formula: C₄₀H₄₃IN₂O₁₈
• Molecular Weight: 966.69
• CAS Registry Number: 153619-28-4
• 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)I)C(=C(C(=C7)C)C(=O)N[C@@H](C(=O)O)C)O
• InChI: 1S/C40H43IN2O18/c1-10-6-16-21(30(49)19(10)37(54)43-11(2)38(55)56)20-13(7-14-22(31(20)50)27(46)15-8-18(57-5)24(41)32(51)23(15)26(14)45)28(47)35(16)60-40-34(53)36(25(42-4)12(3)59-40)61-39-33(52)29(48)17(44)9-58-39/h6-8,11-12,17,25,28-29,33-36,39-40,42,44,47-53H,9H2,1-5H3,(H,43,54)(H,55,56)/t11-,12-,17-,25+,28+,29+,33-,34-,35+,36+,39+,40+/m1/s1
• InChIKey: NIXPDWBFPTXORB-XWXRGQKZSA-N

Properties

• Density: 1.869g/cm³ (Cal.)
• Boiling point: 1123.628°C at 760 mmHg (Cal.)
• Flash point: 633.348°C (Cal.)