Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
TL;DR: Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CAS 106863-71-2) is a chemical compound with molecular formula C43H49O23+ and molecular weight 933.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-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]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Pt 3-(coumRha)Glc-5-Glc, Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside, Petunidin 3-coumaroylrutinoside 5-glucoside, petunidin-3-O-(cis-p-coumaroyl)-rutinoside-5-O-glucoside, petunidin-3-O-(trans-p-coumaroyl)-rutinoside-5-O-glucoside
| Molecular Formula | C43H49O23+ |
|---|---|
| Molecular Weight | 933.27 g/mol |
| LogP | -1.3146 |
| Topological Polar Surface Area | 365.2 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 933.2665 |
| Heavy Atoms | 66 |
| Complexity | 2358.4072 |
Chemical Identifiers
| CAS Number | 106863-71-2 |
|---|---|
| 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)OC)O)O)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O |
Product Overview
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CAS 106863-71-2), with molecular formula C43H49O23+ and molecular weight 933.27 g/mol. IUPAC: [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-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]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Property Insights of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
The XLogP value of -1.3146 indicates that Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.2 Ų indicates high polarity, suggesting Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside?
The CAS number of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside is 106863-71-2.
What is the molecular formula of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside?
The molecular formula of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside is C43H49O23+.
What is the molecular weight of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside?
The molecular weight of Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside is 933.27 g/mol.
Where can I buy Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside?
You can request a quote for Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.