1,6-bis-O-galloyl-beta-D-glucose
TL;DR: 1,6-bis-O-galloyl-beta-D-glucose (CAS 23363-08-8) is a chemical compound with molecular formula C20H20O14 and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Digalloylglucose, digalloyl glucose, digalloyl hexoside, digalloyl-hexoside, digalloyl glucoside
| Molecular Formula | C20H20O14 |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.0853 |
| Heavy Atoms | 34 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 23363-08-8 |
|---|---|
| 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)O)O |
| InChIKey | LYGRISUQIZNHGM-IVABAYMNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-bis-O-galloyl-beta-D-glucose (CAS 23363-08-8), with molecular formula C20H20O14 and molecular weight 484.09 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,6-bis-O-galloyl-beta-D-glucose
Property Insights of 1,6-bis-O-galloyl-beta-D-glucose
The XLogP value of -0.8 indicates that 1,6-bis-O-galloyl-beta-D-glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting 1,6-bis-O-galloyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-bis-O-galloyl-beta-D-glucose has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6-bis-O-galloyl-beta-D-glucose?
The CAS number of 1,6-bis-O-galloyl-beta-D-glucose is 23363-08-8.
What is the molecular formula of 1,6-bis-O-galloyl-beta-D-glucose?
The molecular formula of 1,6-bis-O-galloyl-beta-D-glucose is C20H20O14.
What is the molecular weight of 1,6-bis-O-galloyl-beta-D-glucose?
The molecular weight of 1,6-bis-O-galloyl-beta-D-glucose is 484.09 g/mol.
Where can I buy 1,6-bis-O-galloyl-beta-D-glucose?
You can request a quote for 1,6-bis-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 1,6-bis-O-galloyl-beta-D-glucose?
Yes, KEHONG BIO provides custom synthesis services for 1,6-bis-O-galloyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.