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139933-46-3

139933-46-3 structural image
Product Name: dinophysistoxin 2
Formula: C44H68O13
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COMPUTED DESCRIPTORS

Molecular Weight 805.0 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 10
Exact Mass 804.46599222 g/mol
Monoisotopic Mass 804.46599222 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1520
Isotope Atom Count 0
Defined Atom Stereocenter Count 17
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Dinophysistoxin 2 is a ketal that is a rare marine toxin structurally related to okadaic acid. Found yearly along with okadaic acid in Portuguese shellfish, its presence has been correlated with the occurrence of Dinophysis acta. It has a role as a toxin and an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor. It is functionally related to an okadaic acid.