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131991-61-2

131991-61-2 structural image
Product Name: mono-(6-(1,6-hexamethylenediamine)-6-deoxy)-β-Cyclodextrin
Formula: C48H84N2O34
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COMPUTED DESCRIPTORS

Molecular Weight 1233.2 g/mol
XLogP3 -14.3
Hydrogen Bond Donor Count 22
Hydrogen Bond Acceptor Count 36
Rotatable Bond Count 14
Exact Mass 1232.4905477 g/mol
Monoisotopic Mass 1232.4905477 g/mol
Topological Polar Surface Area 572 Ų
Heavy Atom Count 84
Formal Charge 0
Complexity 1970
Isotope Atom Count 0
Defined Atom Stereocenter Count 34
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes