cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
TL;DR: cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CAS 60029-67-6) is a chemical compound with molecular formula C32H39O20+ and molecular weight 743.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside), Cyanidin 3-(2-xylosyl-6-glucosylgalactoside), Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside), (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium
| Molecular Formula | C32H39O20+ |
|---|---|
| Molecular Weight | 743.20 g/mol |
| LogP | -3.3305 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 743.2035 |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 60029-67-6 |
|---|---|
| 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=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O |
| InChIKey | RAHCBDLMLRVOBZ-KMLVFDMGSA-O |
Product Overview
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CAS 60029-67-6), with molecular formula C32H39O20+ and molecular weight 743.20 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
Property Insights of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
The XLogP value of -3.3305 indicates that cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) 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-(6-O-glucosyl-2-O-xylosylgalactoside) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) has 13 hydrogen bond donor(s) and 19 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-O-(6-O-glucosyl-2-O-xylosylgalactoside)?
The CAS number of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is 60029-67-6.
What is the molecular formula of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)?
The molecular formula of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is C32H39O20+.
What is the molecular weight of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)?
The molecular weight of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is 743.20 g/mol.
Where can I buy cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)?
You can request a quote for cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)?
Yes, KEHONG BIO provides custom synthesis services for cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.