Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)
TL;DR: Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) (CAS 54542-51-7) is a chemical compound with molecular formula C23H22O13 and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Also Known As: 6"-O-Acetylisoquercitrin, Quercetin-3-O-glucose-6''-acetate, acetylated isoquercetin, acetylated isoquercitrin, 6''-O-Acetylisoquercitrin
| Molecular Formula | C23H22O13 |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 0.0319 |
| Topological Polar Surface Area | 216.58 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.10605 |
| Heavy Atoms | 36 |
| Complexity | 1364.3507 |
Chemical Identifiers
| CAS Number | 54542-51-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
Product Overview
Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) (CAS 54542-51-7), with molecular formula C23H22O13 and molecular weight 506.11 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)
Property Insights of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)
The XLogP value of 0.0319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside). The TPSA of 216.58 Ų indicates high polarity, suggesting Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) has 7 hydrogen bond donor(s) and 13 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-(6-O-acetyl-beta-D-glucopyranoside)?
The CAS number of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) is 54542-51-7.
What is the molecular formula of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)?
The molecular formula of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) is C23H22O13.
What is the molecular weight of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)?
The molecular weight of Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) is 506.11 g/mol.
Where can I buy Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)?
You can request a quote for Quercetin 3-O-(6-O-acetyl-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 Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside)?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-O-(6-O-acetyl-beta-D-glucopyranoside) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.