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67217-55-4

67217-55-4 structural image
Product Name: Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin
Formula: C49H76O37S
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COMPUTED DESCRIPTORS

Molecular Weight 1289.2 g/mol
XLogP3 -13
Hydrogen Bond Donor Count 20
Hydrogen Bond Acceptor Count 37
Rotatable Bond Count 10
Exact Mass 1288.3786145 g/mol
Monoisotopic Mass 1288.3786145 g/mol
Topological Polar Surface Area 586 Ų
Heavy Atom Count 87
Formal Charge 0
Complexity 2260
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