3,3',4',5,7-Pentahydroxyflavylium(1+)
TL;DR: 3,3',4',5,7-Pentahydroxyflavylium(1+) (CAS 142561-98-6) is a chemical compound with molecular formula C32H39O20+ and molecular weight 743.2035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 3,3',4',5,7-Pentahydroxyflavylium(1+), Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside], 2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 3-O-[b-D-Xylopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-galactopyranoside]
Technical Specifications
| Molecular Formula | C32H39O20+ |
| Molecular Weight | 743.2035 g/mol |
| XLogP | -3.3305 |
| Topological Polar Surface Area (TPSA) | 319.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 743.2035 Da |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
| SMILES | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| InChIKey | RAHCBDLMLRVOBZ-UHFFFAOYSA-O |
Chemical Property Profile of 3,3',4',5,7-Pentahydroxyflavylium(1+)
Property Insights of 3,3',4',5,7-Pentahydroxyflavylium(1+)
The XLogP value of -3.3305 indicates that 3,3',4',5,7-Pentahydroxyflavylium(1+) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.0 Ų indicates high polarity, suggesting 3,3',4',5,7-Pentahydroxyflavylium(1+) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3',4',5,7-Pentahydroxyflavylium(1+) 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 3,3',4',5,7-Pentahydroxyflavylium(1+)?
The CAS number of 3,3',4',5,7-Pentahydroxyflavylium(1+) is 142561-98-6.
What is the molecular formula of 3,3',4',5,7-Pentahydroxyflavylium(1+)?
The molecular formula of 3,3',4',5,7-Pentahydroxyflavylium(1+) is C32H39O20+.
What is the molecular weight of 3,3',4',5,7-Pentahydroxyflavylium(1+)?
The molecular weight of 3,3',4',5,7-Pentahydroxyflavylium(1+) is 743.2035 g/mol.
Where can I buy 3,3',4',5,7-Pentahydroxyflavylium(1+)?
You can request a quote for 3,3',4',5,7-Pentahydroxyflavylium(1+) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3',4',5,7-Pentahydroxyflavylium(1+)?
Yes, CoreyChem provides custom synthesis services for 3,3',4',5,7-Pentahydroxyflavylium(1+) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.