1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
TL;DR: 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose (CAS 79886-50-3) is a chemical compound with molecular formula C34H28O22 and molecular weight 788.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 1,2,3,6-Tetragalloylglucose, TeGG, 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose, 1,2,3,6-Tetra-O-galloyl-beta-D-glucose, 1,2,3,6-Tgg
| Molecular Formula | C34H28O22 |
|---|---|
| Molecular Weight | 788.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 788.10724 |
| Heavy Atoms | 56 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 79886-50-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](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 |
| InChIKey | RATQVALKDAUZBW-XPMKZLBQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose (CAS 79886-50-3), with molecular formula C34H28O22 and molecular weight 788.11 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
Property Insights of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose. The TPSA of 377.0 Ų indicates high polarity, suggesting 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose?
The CAS number of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose is 79886-50-3.
What is the molecular formula of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose?
The molecular formula of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose is C34H28O22.
What is the molecular weight of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose?
The molecular weight of 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose is 788.11 g/mol.
Where can I buy 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose?
You can request a quote for 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.