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15979-35-8

15979-35-8 structural image
Product Name: LACCAIC ACID A
Formula: C26H19NO12
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 218.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 537.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 6
Exact Mass 537.09072504 g/mol
Monoisotopic Mass 537.09072504 g/mol
Topological Polar Surface Area 239 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1020
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 A 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-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with laccaic acids B, C and D It has a role as a dye, an animal metabolite and an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor. It is a tetrahydroxyanthraquinone, an acetamide, a polyphenol and an oxo dicarboxylic acid.