Isoligustroside
TL;DR: Isoligustroside (CAS 108789-18-0) is a chemical compound with molecular formula C25H32O12 and molecular weight 524.1894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Also Known As: Isoligustroside, Isoligstroside, 2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate, 2H-Pyran-4-acetic acid, 3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-((2-(4-hydroxyphenyl)ethoxy)carbonyl)-, methyl ester, (2S-(2alpha,3E,4beta))-, (2S,3E,4S)-3-Ethylidene-2-(beta-D-glucopyranosyloxy)-5-[(4-hydroxyphenethyloxy)carbonyl]-3,4-dihydro-2H-pyran-4-acetic acid methyl ester
Technical Specifications
| Molecular Formula | C25H32O12 |
| Molecular Weight | 524.1894 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 524.1894 Da |
| Heavy Atoms | 37 |
| Complexity | 834.0 |
| SMILES | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OCCC3=CC=C(C=C3)O)CC(=O)OC |
| InChIKey | UFOVAZLPOLBVGA-MVVLSVRYSA-N |
Chemical Property Profile of Isoligustroside
Property Insights of Isoligustroside
The XLogP value of -0.1 indicates that Isoligustroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Isoligustroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoligustroside has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isoligustroside?
The CAS number of Isoligustroside is 108789-18-0.
What is the molecular formula of Isoligustroside?
The molecular formula of Isoligustroside is C25H32O12.
What is the molecular weight of Isoligustroside?
The molecular weight of Isoligustroside is 524.1894 g/mol.
Where can I buy Isoligustroside?
You can request a quote for Isoligustroside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoligustroside?
Yes, CoreyChem provides custom synthesis services for Isoligustroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.