Pelargonidin 3-O-glucoside
TL;DR: Pelargonidin 3-O-glucoside (CAS 18466-51-8) is a chemical compound with molecular formula C21H21O10+ and molecular weight 433.11 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-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Callistephin, Pelargonidin 3-glucoside, Pelargonidin 3-glucoside ion, Pelargonidin 3-O-glucoside, Pelargonidin-3-glucoside
| Molecular Formula | C21H21O10+ |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 0.6764 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.11346 |
| Heavy Atoms | 31 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 18466-51-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=[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 | ABVCUBUIXWJYSE-GQUPQBGVSA-O |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pelargonidin 3-O-glucoside (CAS 18466-51-8), with molecular formula C21H21O10+ and molecular weight 433.11 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Pelargonidin 3-O-glucoside
Property Insights of Pelargonidin 3-O-glucoside
The XLogP value of 0.6764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pelargonidin 3-O-glucoside. The TPSA of 161.0 Ų indicates high polarity, suggesting Pelargonidin 3-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pelargonidin 3-O-glucoside has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pelargonidin 3-O-glucoside?
The CAS number of Pelargonidin 3-O-glucoside is 18466-51-8.
What is the molecular formula of Pelargonidin 3-O-glucoside?
The molecular formula of Pelargonidin 3-O-glucoside is C21H21O10+.
What is the molecular weight of Pelargonidin 3-O-glucoside?
The molecular weight of Pelargonidin 3-O-glucoside is 433.11 g/mol.
Where can I buy Pelargonidin 3-O-glucoside?
You can request a quote for Pelargonidin 3-O-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pelargonidin 3-O-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Pelargonidin 3-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.