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216758-20-2

216758-20-2 structural image
Product Name: N-(5-ADAMANTANE-1-YL-METHOXY)-PENTYL-DEOXYNOJIRIMYCIN
Formula: C22H39NO5
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COMPUTED DESCRIPTORS

Molecular Weight 397.5 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 397.28282334 g/mol
Monoisotopic Mass 397.28282334 g/mol
Topological Polar Surface Area 93.4 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 474
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 1
Compound Is Canonicalized Yes