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Homecas1908444-28-9

1908444-28-9

1908444-28-9 structural image
Product Name: 7-epi-Obeticholic acid 3-obeticholate ester
Formula: C52H86O7
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COMPUTED DESCRIPTORS

Molecular Weight 823.2 g/mol
XLogP3 12.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 12
Exact Mass 822.63735508 g/mol
Monoisotopic Mass 822.63735508 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1530
Isotope Atom Count 0
Defined Atom Stereocenter Count 22
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes