3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
TL;DR: 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside (CAS 41514-64-1) is a chemical compound with molecular formula C15H22O9 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Also Known As: Koaburaside monomethyl ether, Koaburside, Koaburasidemonomethylether, MEGxp0_000131, 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
| Molecular Formula | C15H22O9 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.12637 |
| Heavy Atoms | 24 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 41514-64-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | NBLLRWANAFOKON-ZHZXCYKASA-N |
Product Overview
3,4,5-Trimethoxyphenyl beta-D-glucopyranoside (CAS 41514-64-1), with molecular formula C15H22O9 and molecular weight 346.13 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol.
Chemical Property Profile of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Property Insights of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
The XLogP value of -0.6 indicates that 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside. Following Lipinski's Rule of Five, 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside?
The CAS number of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside is 41514-64-1.
What is the molecular formula of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside?
The molecular formula of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside is C15H22O9.
What is the molecular weight of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside?
The molecular weight of 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside is 346.13 g/mol.
Where can I buy 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside?
You can request a quote for 3,4,5-Trimethoxyphenyl 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 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.