Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
TL;DR: Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside (CAS 96862-01-0) is a chemical compound with molecular formula C24H22O15 and molecular weight 550.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Also Known As: Quercetin 3-O-malonylglucoside, Trinaquercemalonoside, malonated isoquercetin, malonated isoquercitrin, Quercetin malonylglucosid
| Molecular Formula | C24H22O15 |
|---|---|
| Molecular Weight | 550.10 g/mol |
| LogP | -0.5133 |
| Topological Polar Surface Area | 253.88 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.0959 |
| Heavy Atoms | 39 |
| Complexity | 1478.6085 |
Chemical Identifiers
| CAS Number | 96862-01-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O |
Product Overview
Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside (CAS 96862-01-0), with molecular formula C24H22O15 and molecular weight 550.10 g/mol. IUPAC: 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid.
Chemical Property Profile of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
Property Insights of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
The XLogP value of -0.5133 indicates that Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.88 Ų indicates high polarity, suggesting Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside?
The CAS number of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside is 96862-01-0.
What is the molecular formula of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside?
The molecular formula of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside is C24H22O15.
What is the molecular weight of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside?
The molecular weight of Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside is 550.10 g/mol.
Where can I buy Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside?
You can request a quote for Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.