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81786-46-1

81786-46-1 structural image
Product Name: 1,4:3,6-Dianhydro-2-deoxy-2-((3-phenylpropyl)amino)-L-iditol 5-nitrate monohydrochloride
Formula: C15H20N2O5.ClH
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COMPUTED DESCRIPTORS

Molecular Weight 344.79 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 344.1138995 g/mol
Monoisotopic Mass 344.1138995 g/mol
Topological Polar Surface Area 85.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 369
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes