Peonidin-3-glucoside
TL;DR: Peonidin-3-glucoside (CAS 6906-39-4) is a chemical compound with molecular formula C22H23O11+ and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Peonidin-3-glucoside, Oxycoccicyanin, Peonidin 3-O-glucoside, Petunidin 3-glucoside, peonidin 3-O-beta-D-glucoside
| Molecular Formula | C22H23O11+ |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 0.685 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.12402 |
| Heavy Atoms | 33 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 6906-39-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| InChIKey | ZZWPMFROUHHAKY-OUUKCGNVSA-O |
Product Overview
Peonidin-3-glucoside (CAS 6906-39-4), with molecular formula C22H23O11+ and molecular weight 463.12 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Peonidin-3-glucoside
Property Insights of Peonidin-3-glucoside
The XLogP value of 0.685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peonidin-3-glucoside. The TPSA of 170.0 Ų indicates high polarity, suggesting Peonidin-3-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peonidin-3-glucoside has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peonidin-3-glucoside?
The CAS number of Peonidin-3-glucoside is 6906-39-4.
What is the molecular formula of Peonidin-3-glucoside?
The molecular formula of Peonidin-3-glucoside is C22H23O11+.
What is the molecular weight of Peonidin-3-glucoside?
The molecular weight of Peonidin-3-glucoside is 463.12 g/mol.
Where can I buy Peonidin-3-glucoside?
You can request a quote for Peonidin-3-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peonidin-3-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Peonidin-3-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.