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938186-76-6

938186-76-6 structural image
Product Name: 5-OCTADIYNYL-DU CEP
Formula: C47H55N4O8P
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COMPUTED DESCRIPTORS

Molecular Weight 834.9 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 21
Exact Mass 834.37575172 g/mol
Monoisotopic Mass 834.37575172 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1550
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes