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4865-85-4

4865-85-4 structural image
Product Name: ochratoxin C
Formula: C22H22ClNO6
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Amorphous solid
Chemical Classes Biological Agents -> Mycotoxins

COMPUTED DESCRIPTORS

Molecular Weight 431.9 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 431.1135651 g/mol
Monoisotopic Mass 431.1135651 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 637
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Ochratoxin C is a phenylalanine derivative that is the ethyl ester of ochratoxin A. It has a role as an Aspergillus metabolite, a Penicillium metabolite and a mycotoxin. It is an alpha-amino acid ester, a phenylalanine derivative and a member of isochromanes. It is functionally related to an ochratoxin A.