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53784-83-1

53784-83-1 structural image
Product Name: HEPTAKIS-6-BROMO-6-DEOXY-BETA-CYCLODEXTRIN
Formula: C42H63Br7O28
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COMPUTED DESCRIPTORS

Molecular Weight 1575.3 g/mol
XLogP3 -4.9
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 28
Rotatable Bond Count 7
Exact Mass 1573.77280 g/mol
Monoisotopic Mass 1567.77895 g/mol
Topological Polar Surface Area 412 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 1510
Isotope Atom Count 0
Defined Atom Stereocenter Count 35
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes