hesperidin
TL;DR: hesperidin (CAS 64726-90-5) is a chemical compound with molecular formula C28H34O15 and molecular weight 610.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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]oxy-2,3-dihydrochromen-4-one
Also Known As: hesperidin, diosmin, rac Hesperidine, Diosmin Impurity 25, Hesperetin 7-O-rutinoside
| Molecular Formula | C28H34O15 |
|---|---|
| Molecular Weight | 610.19 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.18976 |
| Heavy Atoms | 43 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 64726-90-5 |
|---|---|
| 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=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| InChIKey | QUQPHWDTPGMPEX-LLHRBZKSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
hesperidin (CAS 64726-90-5), with molecular formula C28H34O15 and molecular weight 610.19 g/mol. IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of hesperidin
Property Insights of hesperidin
The XLogP value of -1.1 indicates that hesperidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting hesperidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, hesperidin has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of hesperidin?
The CAS number of hesperidin is 64726-90-5.
What is the molecular formula of hesperidin?
The molecular formula of hesperidin is C28H34O15.
What is the molecular weight of hesperidin?
The molecular weight of hesperidin is 610.19 g/mol.
Where can I buy hesperidin?
You can request a quote for hesperidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hesperidin?
Yes, KEHONG BIO provides custom synthesis services for hesperidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.