Peonidin 3,5-diglucoside
TL;DR: Peonidin 3,5-diglucoside (CAS 47851-83-2) is a chemical compound with molecular formula C28H33O16+ and molecular weight 625.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: peonidin 3,5-diglucoside, Peonidin-3,5-diglucoside, peonidin 3,5-O-diglucoside, Peonidin 3,5-di-O-glucoside, Peonidin-3,5-O-di-beta-glucoside
| Molecular Formula | C28H33O16+ |
|---|---|
| Molecular Weight | 625.18 g/mol |
| LogP | -1.8419 |
| Topological Polar Surface Area | 259.75 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 625.1769 |
| Heavy Atoms | 44 |
| Complexity | 1463.3232 |
Chemical Identifiers
| CAS Number | 47851-83-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
Product Overview
Peonidin 3,5-diglucoside (CAS 47851-83-2), with molecular formula C28H33O16+ and molecular weight 625.18 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Peonidin 3,5-diglucoside
Property Insights of Peonidin 3,5-diglucoside
The XLogP value of -1.8419 indicates that Peonidin 3,5-diglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.75 Ų indicates high polarity, suggesting Peonidin 3,5-diglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peonidin 3,5-diglucoside has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peonidin 3,5-diglucoside?
The CAS number of Peonidin 3,5-diglucoside is 47851-83-2.
What is the molecular formula of Peonidin 3,5-diglucoside?
The molecular formula of Peonidin 3,5-diglucoside is C28H33O16+.
What is the molecular weight of Peonidin 3,5-diglucoside?
The molecular weight of Peonidin 3,5-diglucoside is 625.18 g/mol.
Where can I buy Peonidin 3,5-diglucoside?
You can request a quote for Peonidin 3,5-diglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peonidin 3,5-diglucoside?
Yes, KEHONG BIO provides custom synthesis services for Peonidin 3,5-diglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.