D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
TL;DR: D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) (CAS 54533-09-4) 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.
[(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Pentagalloylglucose, pentagalloylglucopyranose, D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate), 2,3,4,5,6-Pentagalloylglucose, KST-1B5338
| 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 | 54533-09-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](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-PPPHSYQWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) (CAS 54533-09-4), with molecular formula C41H32O26 and molecular weight 940.12 g/mol. IUPAC: [(2R,3R,4S,5R)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
Property Insights of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
The XLogP value of 3.6 indicates that D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 444.0 Ų indicates high polarity, suggesting D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) 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 D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)?
The CAS number of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) is 54533-09-4.
What is the molecular formula of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)?
The molecular formula of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) is C41H32O26.
What is the molecular weight of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)?
The molecular weight of D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) is 940.12 g/mol.
Where can I buy D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)?
You can request a quote for D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)?
Yes, KEHONG BIO provides custom synthesis services for D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.