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81785-28-6

81785-28-6 structural image
Product Name: 5-(2-Hydroxy-3-(2-cyanophenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydr o-L-idit-2-nitrat HCl
Formula: C16H19N3O7.ClH
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COMPUTED DESCRIPTORS

Molecular Weight 401.8 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 401.0989777 g/mol
Monoisotopic Mass 401.0989777 g/mol
Topological Polar Surface Area 139 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 534
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes