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514-78-3

514-78-3 structural image
Product Name: Canthaxanthin
Formula: C40H52O2
Synonyms: β-Carotin-4,4′-dione;Canthaxanthin (trans);E 161g
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Deep violet crystals or crystalline powder
Boiling Point 717.00 °C. @ 760.00 mm Hg

COMPUTED DESCRIPTORS

Molecular Weight 564.8 g/mol
XLogP3 11.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 564.396730897 g/mol
Monoisotopic Mass 564.396730897 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 1270
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 9
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Canthaxanthin is a carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'. It has a role as a biological pigment, a food colouring, a fungal metabolite and an Escherichia coli metabolite. It derives from a hydride of a beta-carotene.