1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside
TL;DR: 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside (CAS 26922-99-6) 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,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 1,3,4,6-Tetragalloylglucose, tetra-o-galloyl glucose, 1,3,4,6-Tetra-O-galloyl glucose, 1.3.4.6-Tetra-O-galloyl glucose, 1,3,4,6-tetra-o-galloyl-beta-d-glucose
| 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 | 26922-99-6 |
|---|---|
| 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)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | NRQJFEDEWHTAPZ-UGUGPVJNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside (CAS 26922-99-6), with molecular formula C34H28O22 and molecular weight 788.11 g/mol. IUPAC: [(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside
Property Insights of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside. The TPSA of 377.0 Ų indicates high polarity, suggesting 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside 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 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside?
The CAS number of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside is 26922-99-6.
What is the molecular formula of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside?
The molecular formula of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside is C34H28O22.
What is the molecular weight of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside?
The molecular weight of 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside is 788.11 g/mol.
Where can I buy 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside?
You can request a quote for 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.