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97227-33-3

97227-33-3 structural image
Product Name: MONO-6-O-(P-TOLUENESULFONYL)-GAMMA-CYCLODEXTRIN
Formula: C55H86O42S
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COMPUTED DESCRIPTORS

Molecular Weight 1451.3 g/mol
XLogP3 -15.1
Hydrogen Bond Donor Count 23
Hydrogen Bond Acceptor Count 42
Rotatable Bond Count 11
Exact Mass 1450.4314379 g/mol
Monoisotopic Mass 1450.4314379 g/mol
Topological Polar Surface Area 665 Ų
Heavy Atom Count 98
Formal Charge 0
Complexity 2580
Isotope Atom Count 0
Defined Atom Stereocenter Count 40
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes