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138451-90-8

138451-90-8 structural image
Product Name: Heptakis-(2,6-di-O-butyl-3-O-acetyl)-beta-Cyclodextrin
Formula: C112H196O42
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COMPUTED DESCRIPTORS

Molecular Weight 2214.7 g/mol
XLogP3 14
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 42
Rotatable Bond Count 77
Exact Mass 2214.3234751 g/mol
Monoisotopic Mass 2213.3201203 g/mol
Topological Polar Surface Area 443 Ų
Heavy Atom Count 154
Formal Charge 0
Complexity 3080
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