Isooleuropein
TL;DR: Isooleuropein (CAS 108789-17-9) is a chemical compound with molecular formula C25H32O13 and molecular weight 540.18427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dihydroxyphenyl)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: Isooleuropein, 2-(3,4-dihydroxyphenyl)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, (5E)-5-Ethylidene-6alpha-(beta-D-glucopyranosyloxy)-4beta-[(methoxycarbonyl)methyl]-5,6-dihydro-4H-pyran-3-carboxylic acid [2-(3,4-dihydroxyphenyl)ethyl] ester, 2-(3,4-dihydroxyphenyl)ethyl (2S,3E,4S)-3-ethylidene-4-(2-methoxy-2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate, 2-(3,4-Dihydroxyphenyl)ethyl (2S,4S)-3-ethylidene-4-(2-methoxy-2-oxoethyl)-2-(((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylic acid
Technical Specifications
| Molecular Formula | C25H32O13 |
| Molecular Weight | 540.18427 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.18427 Da |
| Heavy Atoms | 38 |
| Complexity | 873.0 |
| 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)O)CC(=O)OC |
| InChIKey | DFPITMMSRVJLIR-ZCHJGGQASA-N |
Chemical Property Profile of Isooleuropein
Property Insights of Isooleuropein
The XLogP value of -0.4 indicates that Isooleuropein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Isooleuropein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isooleuropein has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isooleuropein?
The CAS number of Isooleuropein is 108789-17-9.
What is the molecular formula of Isooleuropein?
The molecular formula of Isooleuropein is C25H32O13.
What is the molecular weight of Isooleuropein?
The molecular weight of Isooleuropein is 540.18427 g/mol.
Where can I buy Isooleuropein?
You can request a quote for Isooleuropein directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isooleuropein?
Yes, CoreyChem provides custom synthesis services for Isooleuropein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.