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123155-05-5

123155-05-5 structural image
Product Name: Heptakis(2,3-diMethyl)-β-cyclodextrin
Formula: C56H98O35
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COMPUTED DESCRIPTORS

Molecular Weight 1331.4 g/mol
XLogP3 -7.5
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 35
Rotatable Bond Count 21
Exact Mass 1330.5888648 g/mol
Monoisotopic Mass 1330.5888648 g/mol
Topological Polar Surface Area 400 Ų
Heavy Atom Count 91
Formal Charge 0
Complexity 1690
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