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10538-59-7

10538-59-7 structural image
Product Name: 7-ketolithocholic Methyl ester
Formula: C25H40O4
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COMPUTED DESCRIPTORS

Molecular Weight 404.6 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 404.29265975 g/mol
Monoisotopic Mass 404.29265975 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 659
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes