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Homecas463962-56-3

463962-56-3

463962-56-3 structural image
Product Name: Simvastatin Acyl-b-D-glucuronide
Formula: C31H48O12
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COMPUTED DESCRIPTORS

Molecular Weight 612.7 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 14
Exact Mass 612.31457696 g/mol
Monoisotopic Mass 612.31457696 g/mol
Topological Polar Surface Area 200 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes