Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
TL;DR: Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (CAS 202338-79-2) is a chemical compound with molecular formula C33H41O19+ and molecular weight 741.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Also Known As: Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside, Pelargonidin 3-rutinoside-5-glucopyranoside, Pelargonidin 3-rutinoside 5-glucoside, (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol, 5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C33H41O19+ |
|---|---|
| Molecular Weight | 741.22 g/mol |
| LogP | -2.9987 |
| Topological Polar Surface Area | 299.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 741.2242 |
| Heavy Atoms | 52 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 202338-79-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O |
| InChIKey | YTMOEUVNNYCFEO-WYHZMSGGSA-O |
Product Overview
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (CAS 202338-79-2), with molecular formula C33H41O19+ and molecular weight 741.22 g/mol. IUPAC: (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.
Chemical Property Profile of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
Property Insights of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
The XLogP value of -2.9987 indicates that Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 299.0 Ų indicates high polarity, suggesting Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside has 12 hydrogen bond donor(s) and 18 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-rutinoside 5-O-beta-D-glucoside?
The CAS number of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is 202338-79-2.
What is the molecular formula of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside?
The molecular formula of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is C33H41O19+.
What is the molecular weight of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside?
The molecular weight of Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is 741.22 g/mol.
Where can I buy Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside?
You can request a quote for Pelargonidin 3-O-rutinoside 5-O-beta-D-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-rutinoside 5-O-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.