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6983-79-5

6983-79-5 structural image
Product Name: Bixin
Formula: C25H30O4
Synonyms: 6-Methyl hydrogen (9Z)-6,6′-diapocarotene-6,6’-dioate;9-cis-6,6′-Diapo-ψ,ψ-carotenedioic acid 6-methyl ester;Natural orange 4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 189.5 - 190.5 °C

COMPUTED DESCRIPTORS

Molecular Weight 394.5 g/mol
XLogP3 7.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 11
Exact Mass 394.21440943 g/mol
Monoisotopic Mass 394.21440943 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 823
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

Bixin is a carotenoic acid that is the 6'-monomethyl ester of 9'-cis-6,6'-diapocarotene-6,6'-dioic acid. It has a role as an antioxidant, an insulin-sensitizing drug, a biological pigment, an anti-inflammatory agent, a food colouring and an apoptosis inducer. It is a carotenoic acid, a dicarboxylic acid monoester and a methyl ester.