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81785-52-6

81785-52-6 structural image
Product Name: 2-((3-(4-Acetaminophenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-L-id itol 5-nitrate HCl H2O
Formula: C17H23N3O7.ClH.H2O
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COMPUTED DESCRIPTORS

Molecular Weight 417.8 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 417.1302778 g/mol
Monoisotopic Mass 417.1302778 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 507
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