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17249-00-2

17249-00-2 structural image
Product Name: LACCAIC ACID B
Formula: C24H16O12
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COMPUTED DESCRIPTORS

Molecular Weight 496.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 5
Exact Mass 496.06417594 g/mol
Monoisotopic Mass 496.06417594 g/mol
Topological Polar Surface Area 230 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 906
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

Laccaic acid B 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-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, C and D It has a role as an animal metabolite and a dye. It is an oxo dicarboxylic acid, a polyphenol, a tetrahydroxyanthraquinone and a primary alcohol.