5-Bromo-6-chloro-3-indolyl-b-D-glucuronide

Base Information

• Chemical Name: 5-Bromo-6-chloro-3-indolyl-b-D-glucuronide
• CAS No.: 144110-42-9
• Molecular Formula: C₁₄H₁₃BrClNO₇
• Molecular Weight: 422.617
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10370004
• Nikkaji Number: J680.431D
• Wikidata: Q72452862
• Mol file: 144110-42-9.mol

Synonyms:144110-42-9;5-Bromo-6-chloro-3-indolyl-b-D-glucuronide;5-Bromo-6-chloro-3-indolylb-D-glucuronide;5-bromo-6-chloro-3-indolyl-beta-d-glucuronide;5-Bromo-6-chloro-3-indolyl beta-D-glucuronide;(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;beta-D-Glucopyranosiduronic acid, 5-bromo-6-chloro-1H-indol-3-yl;SCHEMBL1159834;DTXSID10370004;W-201257;5-Bromo-6-chloro-1H-indole-3-yl beta-D-glucuronide;5-Bromo-6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid

Chemical Property of 5-Bromo-6-chloro-3-indolyl-b-D-glucuronide

Chemical Property:

• Boiling Point: 732℃
• Flash Point: 397℃
• PSA: 132.24000
• Density: 2.005
• LogP: 0.85480
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 420.95639
• Heavy Atom Count: 24
• Complexity: 486

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-6-chloro-3-indolyl-beta-D-glucuronide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Br)Cl)NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Technology Process of 5-Bromo-6-chloro-3-indolyl-b-D-glucuronide

There total 1 articles about 5-Bromo-6-chloro-3-indolyl-b-D-glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C20H17BrClNO9 → 5-bromo-6-chloro-3-indoxyl-β-glucuronide (144110-42-9)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 5h;

Refernces