Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside
TL;DR: Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside (CAS 163060-00-2) is a chemical compound with molecular formula C41H45ClO22 and molecular weight 924.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
Also Known As: CCXGG, Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside, 1-benzopyrylium,2-5-7-hydroxy-3-((6-o-( -3-,chloride, 1-Benzopyrylium,2- -5- -7-hydroxy-3-((6-O-( -3- -,chloride, [(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-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
| Molecular Formula | C41H45ClO22 |
|---|---|
| Molecular Weight | 924.21 g/mol |
| LogP | -4.7077 |
| Topological Polar Surface Area | 355.97 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 924.2091 |
| Heavy Atoms | 64 |
| Complexity | 2259.6484 |
Chemical Identifiers
| CAS Number | 163060-00-2 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=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)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O.[Cl-] |
Product Overview
Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside (CAS 163060-00-2), with molecular formula C41H45ClO22 and molecular weight 924.21 g/mol. IUPAC: [(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-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride.
Chemical Property Profile of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside
Property Insights of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside
The XLogP value of -4.7077 indicates that Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 355.97 Ų indicates high polarity, suggesting Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside?
The CAS number of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside is 163060-00-2.
What is the molecular formula of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside?
The molecular formula of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside is C41H45ClO22.
What is the molecular weight of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside?
The molecular weight of Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside is 924.21 g/mol.
Where can I buy Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside?
You can request a quote for Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.