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212502-87-9

212502-87-9 structural image
Product Name: pectenotoxin-2-seco acid
Formula: C47H72O15
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COMPUTED DESCRIPTORS

Molecular Weight 877.1 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 12
Exact Mass 876.48712159 g/mol
Monoisotopic Mass 876.48712159 g/mol
Topological Polar Surface Area 209 Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1740
Isotope Atom Count 0
Defined Atom Stereocenter Count 19
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes