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121801-65-8

121801-65-8 structural image
Product Name: HEPTAKIS-(2,6-DI-O-PENTYL)-BETA-CYCLODEXTRIN
Formula: C112H210O35
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COMPUTED DESCRIPTORS

Molecular Weight 2116.8 g/mol
XLogP3 17.6
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 35
Rotatable Bond Count 77
Exact Mass 2116.4686232 g/mol
Monoisotopic Mass 2115.4652684 g/mol
Topological Polar Surface Area 400 Ų
Heavy Atom Count 147
Formal Charge 0
Complexity 2550
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