1,2,3-Tri-O-galloyl-beta-D-glucose
TL;DR: 1,2,3-Tri-O-galloyl-beta-D-glucose (CAS 84415-91-8) is a chemical compound with molecular formula C27H24O18 and molecular weight 636.10 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-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate
Also Known As: 1,2,3-Tri-O-galloyl-beta-D-glucose, 1,2,3-trigalloyl glucose, 1,2,3-tri-o-galloylglucose, 1,2,3-O-tri-galloyl-beta-d-glucose, 1,2,3-tri-O-Galloyl-beta-4C1-glucose
| Molecular Formula | C27H24O18 |
|---|---|
| Molecular Weight | 636.10 g/mol |
| LogP | -0.2769 |
| Topological Polar Surface Area | 310.66 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 636.09625 |
| Heavy Atoms | 45 |
| Complexity | 1581.6001 |
Chemical Identifiers
| CAS Number | 84415-91-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O |
Product Overview
1,2,3-Tri-O-galloyl-beta-D-glucose (CAS 84415-91-8), with molecular formula C27H24O18 and molecular weight 636.10 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 1,2,3-Tri-O-galloyl-beta-D-glucose
Property Insights of 1,2,3-Tri-O-galloyl-beta-D-glucose
The XLogP value of -0.2769 indicates that 1,2,3-Tri-O-galloyl-beta-D-glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 310.66 Ų indicates high polarity, suggesting 1,2,3-Tri-O-galloyl-beta-D-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Tri-O-galloyl-beta-D-glucose has 11 hydrogen bond donor(s) and 18 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-Tri-O-galloyl-beta-D-glucose?
The CAS number of 1,2,3-Tri-O-galloyl-beta-D-glucose is 84415-91-8.
What is the molecular formula of 1,2,3-Tri-O-galloyl-beta-D-glucose?
The molecular formula of 1,2,3-Tri-O-galloyl-beta-D-glucose is C27H24O18.
What is the molecular weight of 1,2,3-Tri-O-galloyl-beta-D-glucose?
The molecular weight of 1,2,3-Tri-O-galloyl-beta-D-glucose is 636.10 g/mol.
Where can I buy 1,2,3-Tri-O-galloyl-beta-D-glucose?
You can request a quote for 1,2,3-Tri-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-Tri-O-galloyl-beta-D-glucose?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Tri-O-galloyl-beta-D-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.