Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
TL;DR: Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside (CAS 89927-26-4) is a chemical compound with molecular formula C28H26O18 and molecular weight 650.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-5-hydroxy-6-methoxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: J2.433.326D, Methyl 3-O,4-O,6-O-trigalloyl-beta-D-glucopyranoside, Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside, I(2)-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate), Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
| Molecular Formula | C28H26O18 |
|---|---|
| Molecular Weight | 650.11 g/mol |
| LogP | 0.3772 |
| Topological Polar Surface Area | 299.66 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 650.11194 |
| Heavy Atoms | 46 |
| Complexity | 1599.0675 |
Chemical Identifiers
| CAS Number | 89927-26-4 |
|---|---|
| SMILES | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
Product Overview
Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside (CAS 89927-26-4), with molecular formula C28H26O18 and molecular weight 650.11 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-5-hydroxy-6-methoxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
Property Insights of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
The XLogP value of 0.3772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside. The TPSA of 299.66 Ų indicates high polarity, suggesting Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside has 10 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 Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside?
The CAS number of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside is 89927-26-4.
What is the molecular formula of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside?
The molecular formula of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside is C28H26O18.
What is the molecular weight of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside?
The molecular weight of Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside is 650.11 g/mol.
Where can I buy Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside?
You can request a quote for Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.