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115375-60-5

115375-60-5 structural image
Product Name: (3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)
Formula: C22H29F3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 462.5 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 462.16877968 g/mol
Monoisotopic Mass 462.16877968 g/mol
Topological Polar Surface Area 78 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 932
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes