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7471-73-0

7471-73-0 structural image
Product Name: 5-Hydroxyxanthotoxin
Formula: C12H8O5
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COMPUTED DESCRIPTORS

Molecular Weight 232.19 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 232.03717335 g/mol
Monoisotopic Mass 232.03717335 g/mol
Topological Polar Surface Area 68.9 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 353
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-hydroxyxanthotoxin is a member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5. It has a role as a metabolite. It is functionally related to a methoxsalen. It is a conjugate acid of a 5-hydroxyxanthotoxin(1-).