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87785-51-1

87785-51-1 structural image
Product Name: N-DesMethyl IoMeprol Pentaacetate
Formula: C26H30I3N3O13
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COMPUTED DESCRIPTORS

Molecular Weight 973.2 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 20
Exact Mass 972.8913 g/mol
Monoisotopic Mass 972.8913 g/mol
Topological Polar Surface Area 219 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1060
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes