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213381-05-6

213381-05-6 structural image
Product Name: Posaconazole DiastereoisoMer 2
Formula: C37H42F2N8O4
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COMPUTED DESCRIPTORS

Molecular Weight 700.8 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 12
Exact Mass 700.32970817 g/mol
Monoisotopic Mass 700.32970817 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1170
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes