2''-N-Formimidoylistamycin B disulfate tetrahydrate

N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide;sulfuric acid

Also Known As: 2''-N-Formimidoylistamycin A disulfate trihydrate|2''-N-Formimidoylistamycin B disulfate tetrahydrate|D-allo-Inositol, 2-amino-1-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-2,3,5-trideoxy-5-((((iminomethyl)amino)acetyl)methylamino)-4-O-methyl-, sulfate, hydrate (1:2:4)|L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-, sulfate (1:2)|L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-, sulfate, hydrate (1:2:3)|N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide; sulfuric acid|Sulfuric acid--6-amino-2-hydroxy-3-{[N-(iminomethyl)glycyl](methyl)amino}-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside (2/1)

Molecular Formula	C18H40N6O13S2
Molecular Weight	612.2095 g/mol
LogP	-3.9613
Topological Polar Surface Area	319.88 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	612.2095
Monoisotopic Mass	612.2095
Heavy Atoms	39
Complexity	924.5417

Chemical Identifiers

CAS Number	81202-84-8
SMILES	CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN=CN)OC)N)N.OS(=O)(=O)O.OS(=O)(=O)O