5-Bromo-4-chloro-3-indolyl β-D-glucopyranoside
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5-Bromo-4-chloro-3-indolyl β-D-glucopyranoside
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CAS No:
15548-60-4
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Formula:
C14H15BrClNO6
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Chemical Name:
5-Bromo-4-chloro-3-indolyl β-D-glucopyranoside
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Synonyms:
β-D-Glucopyranoside,5-bromo-4-chloro-1H-indol-3-yl;Indole,5-bromo-4-chloro-3-(β-D-glucopyranosyloxy)-;5-Bromo-4-chloro-1H-indol-3-yl β-D-glucopyranoside;4-Chloro-5-bromo-3-indolyl-β-D-glucoside;5-Bromo-4-chloro-3-indolyl β-D-glucoside;5-Bromo-4-chloro-3-indolyl β-D-glucopyranoside;X-Glucoside;98048-69-2;136013-63-3;329950-23-4;878490-83-6
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CAS No:
Description
5-bromo-4-chloro-3-indolyl beta-D-glucoside is an indolyl carbohydrate that is the beta-D-glucoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, beta-glucosidase, which cleaves the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product. It has a role as a chromogenic compound. It is an indolyl carbohydrate, an organobromine compound, an organochlorine compound, a D-aldohexose derivative and a beta-D-glucoside. It derives from an indoxyl.
Characteristics
115.17000
0.76250
1.882 g/cm3
249-251ºC
673.9ºC at 760 mmHg
361.3ºC
1.731
-20ºC
4.44E-19mmHg at 25°C
Computed Properties
Molecular Weight:408.63
XLogP3:1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:406.97713
Monoisotopic Mass:406.97713
Topological Polar Surface Area:115
Heavy Atom Count:23
Complexity:421
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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