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86307-44-0

86307-44-0 structural image
Product Name: pre-Calcitriol PTAD Adduct
Formula: C35H49N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 591.8 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 591.36722167 g/mol
Monoisotopic Mass 591.36722167 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1170
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes