Pentagalloylglucose
TL;DR: Pentagalloylglucose (CAS 70470-10-9) is a chemical compound with molecular formula C41H32O26 and molecular weight 940.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Pentagalloylglucose, pentagalloyl hexoside, beta-Penta-O-galloyl-glucose, .beta-Penta-O-galloyl-D-glucose, 2,3,4,5,6-Pentagalloylglucose
| Molecular Formula | C41H32O26 |
|---|---|
| Molecular Weight | 940.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 444.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Exact Mass | 940.11816 |
| Heavy Atoms | 67 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 70470-10-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(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)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| InChIKey | QJYNZEYHSMRWBK-UHFFFAOYSA-N |
Product Overview
Pentagalloylglucose (CAS 70470-10-9), with molecular formula C41H32O26 and molecular weight 940.12 g/mol. IUPAC: [3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Pentagalloylglucose
Property Insights of Pentagalloylglucose
The XLogP value of 3.6 indicates that Pentagalloylglucose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 444.0 Ų indicates high polarity, suggesting Pentagalloylglucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentagalloylglucose has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentagalloylglucose?
The CAS number of Pentagalloylglucose is 70470-10-9.
What is the molecular formula of Pentagalloylglucose?
The molecular formula of Pentagalloylglucose is C41H32O26.
What is the molecular weight of Pentagalloylglucose?
The molecular weight of Pentagalloylglucose is 940.12 g/mol.
Where can I buy Pentagalloylglucose?
You can request a quote for Pentagalloylglucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentagalloylglucose?
Yes, KEHONG BIO provides custom synthesis services for Pentagalloylglucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.