6-O-galloyl-beta-D-glucose
TL;DR: 6-O-galloyl-beta-D-glucose (CAS 34781-46-9) is a chemical compound with molecular formula C13H16O10 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: 6-O-Galloylglucose, 6-O-galloyl-beta-D-glucose, 6-O-Galloyl-I(2)-D-glucose, 6-O-Galloyl-beta-D-glucopyranose, 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
| Molecular Formula | C13H16O10 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | -2.2399 |
| Topological Polar Surface Area | 177.14 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.07434 |
| Heavy Atoms | 23 |
| Complexity | 565.1131 |
Chemical Identifiers
| CAS Number | 34781-46-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O |
Product Overview
6-O-galloyl-beta-D-glucose (CAS 34781-46-9), with molecular formula C13H16O10 and molecular weight 332.07 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 6-O-galloyl-beta-D-glucose
Property Insights of 6-O-galloyl-beta-D-glucose
The XLogP value of -2.2399 indicates that 6-O-galloyl-beta-D-glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.14 Ų indicates high polarity, suggesting 6-O-galloyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-galloyl-beta-D-glucose has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-galloyl-beta-D-glucose?
The CAS number of 6-O-galloyl-beta-D-glucose is 34781-46-9.
What is the molecular formula of 6-O-galloyl-beta-D-glucose?
The molecular formula of 6-O-galloyl-beta-D-glucose is C13H16O10.
What is the molecular weight of 6-O-galloyl-beta-D-glucose?
The molecular weight of 6-O-galloyl-beta-D-glucose is 332.07 g/mol.
Where can I buy 6-O-galloyl-beta-D-glucose?
You can request a quote for 6-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 6-O-galloyl-beta-D-glucose?
Yes, KEHONG BIO provides custom synthesis services for 6-O-galloyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.