4-Amino-1,4-Dideoxy-3-O-(2,6-Diamino-2,3,4,6,7-Pentadeoxy-beta-L-Lyxo-Heptopyranosyl)-6-O-Methyl-1-(2-(Formimidoylamino)-N -Methylacetamido)-L-Chiro-Inositol Sulfate (1:2) Hydrate
[CAS# 73245-91-7]

Identification

• Name: 4-Amino-1,4-Dideoxy-3-O-(2,6-Diamino-2,3,4,6,7-Pentadeoxy-beta-L-Lyxo-Heptopyranosyl)-6-O-Methyl-1-(2-(Formimidoylamino)-N -Methylacetamido)-L-Chiro-Inositol Sulfate (1:2) Hydrate
• Synonyms: N-[4-Amino-3-[3-Amino-6-(1-Aminoethyl)Tetrahydropyran-2-Yl]Oxy-2,5-Dihydroxy-6-Methoxy-Cyclohexyl]-2-(Aminomethyleneamino)-N-Methyl-Acetamide; Sulfuric Acid; N-[4-Amino-3-[[3-Amino-6-(1-Aminoethyl)-2-Tetrahydropyranyl]Oxy]-2,5-Dihydroxy-6-Methoxycyclohexyl]-2-(Aminomethyleneamino)-N-Methylacetamide; Sulfuric Acid; N-[4-Amino-3-[3-Amino-6-(1-Aminoethyl)Oxan-2-Yl]Oxy-2,5-Dihydroxy-6-Methoxy-Cyclohexyl]-2-(Aminomethylideneamino)-N-Methyl-Ethanamide; Sulfuric Acid
• Molecular Formula: C₁₈H₄₀N₆O₁₄S₂
• Molecular Weight: 628.67
• CAS Registry Number: 73245-91-7
• SMILES: O=[S](O)(O)=O.O=[S](O)(O)=O.C(N=CN)C(=O)N(C2C(O)C(OC1OC(CCC1N)C(N)C)C(N)C(O)C2OC)C
• InChI: 1S/C18H36N6O6.2H2O4S/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19;2*1-5(2,3)4/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23);2*(H2,1,2,3,4)
• InChIKey: ZFWIVAVUSGOMQJ-UHFFFAOYSA-N

Properties

• Boiling point: 658.9°C at 760 mmHg (Cal.)
• Flash point: 352.3°C (Cal.)