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136781-90-3

136781-90-3 structural image
Product Name: HEPTAKIS(2,6-DI-O-''BUTYL)-BETA-CYCLODEXTRIN****
Formula: C98H182O35
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COMPUTED DESCRIPTORS

Molecular Weight 1920.5 g/mol
XLogP3 10
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 35
Rotatable Bond Count 63
Exact Mass 1920.2495223 g/mol
Monoisotopic Mass 1919.2461675 g/mol
Topological Polar Surface Area 400 Ų
Heavy Atom Count 133
Formal Charge 0
Complexity 2330
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