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182897-30-9

182897-30-9 structural image
Product Name: Iberiotoxin trifluoroacetate salt
Formula: C179H274N50O55S7
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COMPUTED DESCRIPTORS

Molecular Weight 4345 g/mol
Hydrogen Bond Donor Count 62
Hydrogen Bond Acceptor Count 74
Rotatable Bond Count 82
Exact Mass 4342.8187798 g/mol
Monoisotopic Mass 4341.8154250 g/mol
Topological Polar Surface Area 1930 Ų
Heavy Atom Count 298
Formal Charge 0
Complexity 10100
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 35
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes