TL;DR: Piceid (CAS 1261217-13-3) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Piceid, Polydatin, Trans-Piceid, 9-anthraceneboronic acid, AA-504/20843007
| Molecular Formula | C20H22O8 |
| Molecular Weight | 390.13147 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.13147 Da |
| Heavy Atoms | 28 |
| Complexity | 506.0 |
| SMILES | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChIKey | HSTZMXCBWJGKHG-OWOJBTEDSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piceid. The TPSA of 140.0 Ų indicates high polarity, suggesting Piceid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piceid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piceid is 1261217-13-3.
The molecular formula of Piceid is C20H22O8.
The molecular weight of Piceid is 390.13147 g/mol.
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