5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide

(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Bci-3 glud|X-glucuronide|X-Gluc|5-Bromo-4-chloro-3-indolylglucuronide|5-bromo-4-chloro-3-indolyl beta-d-glucuronide|5-BROMO-4-CHLORO-3-INDOLYL-beta-D-GLUCURONIDE|5-Bromo-4-chloro-3-indoxyl-glucuronide|5-bromo-4-chloroindoxyl beta-D-glucuronide|5-Bromo-4-chloro-1H-indol-3-yl-b-D-glucuronide|5-Bromo-4-chloro-3-indolyl-|A-D-glucuronide|5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid|4-Chloro-5-bromo-1H-indole-3-yl beta-D-glucuronide|5-Bromo-4-chloro-1H-indole-3-yl beta-D-glucuronide|5-Bromo-4-chloro-1H-indole-3-yl beta-D-glucuronopyranoside|5-bromo-4-chloro-3-indolyl beta-d-glucopyranosiduronic acid|5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt|(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|4-Chloro-5-bromo-1H-indole-3-yl beta-D-glucopyranosiduronic acid|1-O-(4-Chloro-5-bromo-1H-indole-3-yl)-beta-D-glucopyranuronic acid|5-BROMO-4-CHLORO-1H-INDOL-3-YL-BETA-D-GLUCOPYRANOSIDURONIC ACID|5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt

Molecular Formula	C14H13BrClNO7
Molecular Weight	420.9564 g/mol
LogP	0.8548
Topological Polar Surface Area	132.24 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	420.9564
Monoisotopic Mass	420.9564
Heavy Atoms	24
Complexity	781.8139

Chemical Identifiers

CAS Number	370100-64-4
SMILES	C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br