Isorhamnetin 3-O-robinoside
TL;DR: Isorhamnetin 3-O-robinoside (CAS 53584-69-3) is a chemical compound with molecular formula C28H32O16 and molecular weight 624.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,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: Keioside, i-Rha-gal, Narcissin Flavonol, Isorhamnetin-Rha-Gal, Isorhamnetin 3-robinobioside
| Molecular Formula | C28H32O16 |
|---|---|
| Molecular Weight | 624.17 g/mol |
| LogP | -1.3841 |
| Topological Polar Surface Area | 258.43 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.169 |
| Heavy Atoms | 44 |
| Complexity | 1556.8699 |
Chemical Identifiers
| CAS Number | 53584-69-3 |
|---|---|
| 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)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O |
Product Overview
Isorhamnetin 3-O-robinoside (CAS 53584-69-3), with molecular formula C28H32O16 and molecular weight 624.17 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,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-robinoside
Property Insights of Isorhamnetin 3-O-robinoside
The XLogP value of -1.3841 indicates that Isorhamnetin 3-O-robinoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.43 Ų indicates high polarity, suggesting Isorhamnetin 3-O-robinoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhamnetin 3-O-robinoside has 9 hydrogen bond donor(s) and 16 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-robinoside?
The CAS number of Isorhamnetin 3-O-robinoside is 53584-69-3.
What is the molecular formula of Isorhamnetin 3-O-robinoside?
The molecular formula of Isorhamnetin 3-O-robinoside is C28H32O16.
What is the molecular weight of Isorhamnetin 3-O-robinoside?
The molecular weight of Isorhamnetin 3-O-robinoside is 624.17 g/mol.
Where can I buy Isorhamnetin 3-O-robinoside?
You can request a quote for Isorhamnetin 3-O-robinoside 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-robinoside?
Yes, KEHONG BIO provides custom synthesis services for Isorhamnetin 3-O-robinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.