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23241-56-7

23241-56-7 structural image
Product Name: LACCAIC ACID C
Formula: C25H17NO13
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COMPUTED DESCRIPTORS

Molecular Weight 539.4 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 6
Exact Mass 539.06998960 g/mol
Monoisotopic Mass 539.06998960 g/mol
Topological Polar Surface Area 273 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1030
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Laccaic acid C is a tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, B and D It has a role as a dye and an animal metabolite. It is a polyphenol, a tetrahydroxyanthraquinone, a tricarboxylic acid and an alpha-amino acid.