Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
TL;DR: Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside (CAS 135558-26-8) is a chemical compound with molecular formula C33H41O20+ and molecular weight 757.2191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Also Known As: Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside, Cyanidin 3-rutinoside 5-glucoside, cyanidin 3-O-rutinoside 5-O-EC-D-glucoside, (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol, 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(b-D-glucopyranosyloxy)-7-hydroxy-(9CI)
Technical Specifications
| Molecular Formula | C33H41O20+ |
| Molecular Weight | 757.2191 g/mol |
| XLogP | -3.2931 |
| Topological Polar Surface Area (TPSA) | 319.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 757.2191 Da |
| Heavy Atoms | 53 |
| Complexity | 1170.0 |
| 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)O |
| InChIKey | DFJZNAHUOVEDQB-HWKLKBEVSA-O |
Chemical Property Profile of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
Property Insights of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
The XLogP value of -3.2931 indicates that Cyanidin 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 319.0 Ų indicates high polarity, suggesting Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside?
The CAS number of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside is 135558-26-8.
What is the molecular formula of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside?
The molecular formula of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside is C33H41O20+.
What is the molecular weight of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside?
The molecular weight of Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside is 757.2191 g/mol.
Where can I buy Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside?
You can request a quote for Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside?
Yes, CoreyChem provides custom synthesis services for Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.