3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside
TL;DR: 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside (CAS 105304-69-6) is a chemical compound with molecular formula C27H26O12 and molecular weight 542.14246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: 3,4',5-TOHS-2''-GGlc, 2-fluorobut-2-enedinitrile, 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside, [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Technical Specifications
| Molecular Formula | C27H26O12 |
| Molecular Weight | 542.14246 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.14246 Da |
| Heavy Atoms | 39 |
| Complexity | 812.0 |
| SMILES | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@]([C@H](O2)CO)(/C=C/C3=CC(=CC(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChIKey | YVAPPPYBCIJACC-UBFVITNGSA-N |
Chemical Property Profile of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside
Property Insights of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside. The TPSA of 207.0 Ų indicates high polarity, suggesting 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside has 8 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 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside?
The CAS number of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside is 105304-69-6.
What is the molecular formula of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside?
The molecular formula of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside is C27H26O12.
What is the molecular weight of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside?
The molecular weight of 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside is 542.14246 g/mol.
Where can I buy 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside?
You can request a quote for 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside?
Yes, CoreyChem provides custom synthesis services for 3,4',5-Trihydroxystilbene-4'-O-(2''-O-galloyl)glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.