Quercetin 3-neohesperidoside
TL;DR: Quercetin 3-neohesperidoside (CAS 29662-79-1) is a chemical compound with molecular formula C27H30O16 and molecular weight 610.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: quercetin 3-O-neohesperidoside, Calendoflavobioside, q-Rha-gal, Quercetin 3-neohesperidoside, Quercetin-3-O-neohesperidin
| Molecular Formula | C27H30O16 |
|---|---|
| Molecular Weight | 610.15 g/mol |
| LogP | -1.6871 |
| Topological Polar Surface Area | 269.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1534 |
| Heavy Atoms | 43 |
| Complexity | 1539.635 |
Chemical Identifiers
| CAS Number | 29662-79-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O |
Product Overview
Quercetin 3-neohesperidoside (CAS 29662-79-1), with molecular formula C27H30O16 and molecular weight 610.15 g/mol. IUPAC: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of Quercetin 3-neohesperidoside
Property Insights of Quercetin 3-neohesperidoside
The XLogP value of -1.6871 indicates that Quercetin 3-neohesperidoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 269.43 Ų indicates high polarity, suggesting Quercetin 3-neohesperidoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-neohesperidoside has 10 hydrogen bond donor(s) and 16 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-neohesperidoside?
The CAS number of Quercetin 3-neohesperidoside is 29662-79-1.
What is the molecular formula of Quercetin 3-neohesperidoside?
The molecular formula of Quercetin 3-neohesperidoside is C27H30O16.
What is the molecular weight of Quercetin 3-neohesperidoside?
The molecular weight of Quercetin 3-neohesperidoside is 610.15 g/mol.
Where can I buy Quercetin 3-neohesperidoside?
You can request a quote for Quercetin 3-neohesperidoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-neohesperidoside?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-neohesperidoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.