Petunidin 3-Glucoside
TL;DR: Petunidin 3-Glucoside (CAS 6988-81-4) is a chemical compound with molecular formula C22H23O12+ and molecular weight 479.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Petunidin 3-glucoside, Petunidin 3-O-glucoside, Petunidin-3-glucoside, anthocyanin Pt3G, Petunidin-3-O-glucoside
| Molecular Formula | C22H23O12+ |
|---|---|
| Molecular Weight | 479.12 g/mol |
| LogP | 0.3906 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.11896 |
| Heavy Atoms | 34 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 6988-81-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)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 |
| InChIKey | CCQDWIRWKWIUKK-QKYBYQKWSA-O |
Product Overview
Petunidin 3-Glucoside (CAS 6988-81-4), with molecular formula C22H23O12+ and molecular weight 479.12 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Petunidin 3-Glucoside
Property Insights of Petunidin 3-Glucoside
The XLogP value of 0.3906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petunidin 3-Glucoside. The TPSA of 191.0 Ų indicates high polarity, suggesting Petunidin 3-Glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Petunidin 3-Glucoside has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Petunidin 3-Glucoside?
The CAS number of Petunidin 3-Glucoside is 6988-81-4.
What is the molecular formula of Petunidin 3-Glucoside?
The molecular formula of Petunidin 3-Glucoside is C22H23O12+.
What is the molecular weight of Petunidin 3-Glucoside?
The molecular weight of Petunidin 3-Glucoside is 479.12 g/mol.
Where can I buy Petunidin 3-Glucoside?
You can request a quote for Petunidin 3-Glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petunidin 3-Glucoside?
Yes, KEHONG BIO provides custom synthesis services for Petunidin 3-Glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.