Isorhamnetin-3-O-rutinoside-7-O-glucoside
TL;DR: Isorhamnetin-3-O-rutinoside-7-O-glucoside (CAS 55481-91-9) is a chemical compound with molecular formula C34H42O21 and molecular weight 786.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Isorhamnetin-3-O-rutinoside-7-O-glucoside, auriculatin 4'A
| Molecular Formula | C34H42O21 |
|---|---|
| Molecular Weight | 786.22 g/mol |
| LogP | -3.911 |
| Topological Polar Surface Area | 337.58 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 786.22186 |
| Heavy Atoms | 55 |
| Complexity | 1868.4227 |
Chemical Identifiers
| CAS Number | 55481-91-9 |
|---|---|
| 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(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)O)O)O |
Product Overview
Isorhamnetin-3-O-rutinoside-7-O-glucoside (CAS 55481-91-9), with molecular formula C34H42O21 and molecular weight 786.22 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Isorhamnetin-3-O-rutinoside-7-O-glucoside
Property Insights of Isorhamnetin-3-O-rutinoside-7-O-glucoside
The XLogP value of -3.911 indicates that Isorhamnetin-3-O-rutinoside-7-O-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.58 Ų indicates high polarity, suggesting Isorhamnetin-3-O-rutinoside-7-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhamnetin-3-O-rutinoside-7-O-glucoside has 12 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 Isorhamnetin-3-O-rutinoside-7-O-glucoside?
The CAS number of Isorhamnetin-3-O-rutinoside-7-O-glucoside is 55481-91-9.
What is the molecular formula of Isorhamnetin-3-O-rutinoside-7-O-glucoside?
The molecular formula of Isorhamnetin-3-O-rutinoside-7-O-glucoside is C34H42O21.
What is the molecular weight of Isorhamnetin-3-O-rutinoside-7-O-glucoside?
The molecular weight of Isorhamnetin-3-O-rutinoside-7-O-glucoside is 786.22 g/mol.
Where can I buy Isorhamnetin-3-O-rutinoside-7-O-glucoside?
You can request a quote for Isorhamnetin-3-O-rutinoside-7-O-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorhamnetin-3-O-rutinoside-7-O-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Isorhamnetin-3-O-rutinoside-7-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.