Isorhamnetin 3-glucuronide
TL;DR: Isorhamnetin 3-glucuronide (CAS 36687-76-0) is a chemical compound with molecular formula C22H20O13 and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Isorhamnetin 3-glucuronide, Isorhamnetin-3-glucuronide, Isorhamnetin 3-glucuronoside, Isorhamnetin glucuronide, Isorhamnetin 3-O-glucuronide
| Molecular Formula | C22H20O13 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | -0.1436 |
| Topological Polar Surface Area | 216.58 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.0904 |
| Heavy Atoms | 35 |
| Complexity | 1347.4099 |
Chemical Identifiers
| CAS Number | 36687-76-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O |
Product Overview
Isorhamnetin 3-glucuronide (CAS 36687-76-0), with molecular formula C22H20O13 and molecular weight 492.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Isorhamnetin 3-glucuronide
Property Insights of Isorhamnetin 3-glucuronide
The XLogP value of -0.1436 indicates that Isorhamnetin 3-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.58 Ų indicates high polarity, suggesting Isorhamnetin 3-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhamnetin 3-glucuronide has 7 hydrogen bond donor(s) and 12 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-glucuronide?
The CAS number of Isorhamnetin 3-glucuronide is 36687-76-0.
What is the molecular formula of Isorhamnetin 3-glucuronide?
The molecular formula of Isorhamnetin 3-glucuronide is C22H20O13.
What is the molecular weight of Isorhamnetin 3-glucuronide?
The molecular weight of Isorhamnetin 3-glucuronide is 492.09 g/mol.
Where can I buy Isorhamnetin 3-glucuronide?
You can request a quote for Isorhamnetin 3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorhamnetin 3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Isorhamnetin 3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.