1,2,3,6-Tetragalloyl-beta-D-glucopyranose

Base Information

• Chemical Name: 1,2,3,6-Tetragalloyl-beta-D-glucopyranose
• CAS No.: 79886-50-3
• Molecular Formula: C₃₄H₂₈O₂₂
• Molecular Weight: 788.583
• Mol file: 79886-50-3.mol

Synonyms:TeGG;1,2,3,6-Tetra-O-galloyl-B-D-glucose;1,2,3,6-Tetragalloyl-beta-D-glucopyranose;1,2,3,6-tetra-O-gallose-beta-D-glucopyranose;SCHEMBL22504468;1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS

Chemical Property of 1,2,3,6-Tetragalloyl-beta-D-glucopyranose

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 198-200 °C
• Boiling Point: 1240.8°C at 760 mmHg
• PKA: 8.37±0.15(Predicted)
• Flash Point: 388.6°C
• PSA: 377.42000
• Density: 2.02g/cm³
• LogP: 0.70460
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 13
• Exact Mass: 788.10722252
• Heavy Atom Count: 56
• Complexity: 1340

Purity/Quality:

≥98% ^*data from raw suppliers

1,2,3,6-Tetragalloylglucose ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O

Technology Process of 1,2,3,6-Tetragalloyl-beta-D-glucopyranose

There total 2 articles about 1,2,3,6-Tetragalloyl-beta-D-glucopyranose 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:

C88H60N2O50 → 1,2,3,6-tetra-O-galloyl-β-D-glucose (79886-50-3,118014-07-6,135029-94-6) + phillyraeoidin E (125002-72-4) + 2,3-dihydroxy-chromeno[5',4',3':3,4,5]chromeno[7,8-b]quinoxaline-5,14-dione (18463-81-5)

Guidance literature:

With water; In methanol; at 80 ℃; for 27h;

DOI:10.1016/0031-9422(94)00670-O

Reference yield:

Woodfordin A (127243-65-6) → 1,2,3,6-tetra-O-galloyl-β-D-glucose (79886-50-3,118014-07-6,135029-94-6)

Guidance literature:

With water; for 10h; Heating;

DOI:10.1248/cpb.38.1211

Reference yield:

1,2,3,6-tetra-O-galloyl-β-D-glucose (79886-50-3,118014-07-6,135029-94-6) → ellagic acid (476-66-4)

Guidance literature:

With enzyme of Cornus capitata adventitious roots; copper(II) sulfate; Maltose; indole-3-acetic acid; In water; acetone; at 37 ℃; for 24h; Enzymatic reaction;

DOI:10.1271/bbb.65.1869

upstream raw materials:

Woodfordin A

Downstream raw materials:

1,2,3,6-tetra-O-galloyl-β-D-glucose, dodecamethyl ester

ellagic acid

Refernces

• 1、 Yoshida,Chou,Nitta,Miyamoto,Koshiura,Okuda. "Woodfordin C, a macro-ring hydrolyzable tannin dimer with antitumor activity, and accompanying dimers from Woodfordia fruticosa flowers". . p. 1211 - 1217. Retrieved 2007/10/02.