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13072-89-4

13072-89-4 structural image
Product Name: anhydrotetrodotoxin
Formula: C11H15N3O7
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COMPUTED DESCRIPTORS

Molecular Weight 301.25 g/mol
XLogP3 -4.9
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 1
Exact Mass 301.09099983 g/mol
Monoisotopic Mass 301.09099983 g/mol
Topological Polar Surface Area 159 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 574
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Anhydrotetrodotoxin is a natural product found in Takifugu xanthopterus, Takifugu poecilonotus, and other organisms with data available.