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134394-98-2

134394-98-2 structural image
Product Name: 3-Oxo Atorvastatin tert-Butyl Ester
Formula: C37H41FN2O5
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COMPUTED DESCRIPTORS

Molecular Weight 612.7 g/mol
XLogP3 6.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 14
Exact Mass 612.29995057 g/mol
Monoisotopic Mass 612.29995057 g/mol
Topological Polar Surface Area 97.6 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 962
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes