2''-N-Formimidoylistamycin B disulfate tetrahydrate
[CAS# 77312-56-2]

Identification

• Name: 2''-N-Formimidoylistamycin B disulfate tetrahydrate
• Synonyms: N-[4-Amino-3-[3-Amino-6-(Methylaminomethyl)Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-6-Methoxy-Cyclohexyl]-2-(Aminomethyleneamino)-N-Methyl-Acetamide; Sulfuric Acid; N-[4-Amino-3-[[3-Amino-6-(Methylaminomethyl)-2-Tetrahydropyranyl]Oxy]-2-Hydroxy-6-Methoxycyclohexyl]-2-(Aminomethyleneamino)-N-Methylacetamide; Sulfuric Acid; N-[4-Amino-3-[3-Amino-6-(Methylaminomethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-Methoxy-Cyclohexyl]-2-(Aminomethylideneamino)-N-Methyl-Ethanamide; Sulfuric Acid
• Molecular Formula: C₁₈H₄₀N₆O₁₃S₂
• Molecular Weight: 612.67
• CAS Registry Number: 77312-56-2
• SMILES: O=[S](=O)(O)O.O=[S](=O)(O)O.C(N=CN)C(=O)N(C2C(O)C(OC1OC(CCC1N)CNC)C(N)CC2OC)C
• InChI: 1S/C18H36N6O5.2H2O4S/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19;2*1-5(2,3)4/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23);2*(H2,1,2,3,4)
• InChIKey: MBVIHFAPAWIFRU-UHFFFAOYSA-N

Properties

• Boiling point: 610.3°C at 760 mmHg (Cal.)
• Flash point: 322.9°C (Cal.)