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863239-61-6

863239-61-6 structural image
Product Name: Tauro Obeticholic acid
Formula: C28H49NO6S
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COMPUTED DESCRIPTORS

Molecular Weight 527.8 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 527.32805946 g/mol
Monoisotopic Mass 527.32805946 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 904
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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