Ashimycin A
[CAS# 123482-11-1]

Identification

• Name: Ashimycin A
• Synonyms: 2-[6-[2-(2,4-Diguanidino-3,5,6-Trihydroxy-Cyclohexoxy)-4-Formyl-4-Hydroxy-5-Methyl-Tetrahydrofuran-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)-5-Methylamino-Tetrahydropyran-3-Yl]Oxy-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Carboxylic Acid; 2-[[6-[[2-(2,4-Diguanidino-3,5,6-Trihydroxycyclohexoxy)-4-Formyl-4-Hydroxy-5-Methyl-3-Tetrahydrofuranyl]Oxy]-4-Hydroxy-2-(Hydroxymethyl)-5-Methylamino-3-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-5-(Hydroxymethyl)-3-Tetrahydrofurancarboxylic Acid; 2-[6-[2-(2,4-Diguanidino-3,5,6-Trihydroxy-Cyclohexoxy)-4-Formyl-4-Hydroxy-5-Methyl-Tetrahydrofuran-3-Yl]Oxy-4-Hydroxy-5-Methylamino-2-Methylol-Tetrahydropyran-3-Yl]Oxy-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-3-Carboxylic Acid
• Molecular Formula: C₂₇H₄₇N₇O₁₈
• Molecular Weight: 757.70
• CAS Registry Number: 123482-11-1
• SMILES: C(O)C3OC(OC1C(O)(C(OC1OC2C(N=C(N)N)C(O)C(N=C(N)N)C(O)C2O)C)C=O)C(NC)C(O)C3OC4OC(C(O)C4(O)C(O)=O)CO
• InChI: 1S/C27H47N7O18/c1-6-26(45,5-37)19(21(47-6)50-17-10(34-25(30)31)12(38)9(33-24(28)29)13(39)15(17)41)52-20-11(32-2)14(40)16(7(3-35)48-20)51-23-27(46,22(43)44)18(42)8(4-36)49-23/h5-21,23,32,35-36,38-42,45-46H,3-4H2,1-2H3,(H,43,44)(H4,28,29,33)(H4,30,31,34)
• InChIKey: ILBIJYYHQHTSRJ-UHFFFAOYSA-N

Properties

• Density: 2.058g/cm³ (Cal.)
• Boiling point: 1155.538°C at 760 mmHg (Cal.)
• Flash point: 652.646°C (Cal.)