3,7,8-Tri-O-methylellagic acid 4-glucoside
TL;DR: 3,7,8-Tri-O-methylellagic acid 4-glucoside (CAS 114942-09-5) is a chemical compound with molecular formula C23H22O13 and molecular weight 506.10605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,13-trimethoxy-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Also Known As: TMEAG, 3,7,8-Tri-O-methylellagic acid 4-glucoside, (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(beta-D-glucopyranosyloxy)-2,6,7-trimethoxy-, 2,6,7-Trimethoxy-5,10-dioxo-5,10-dihydro[1]benzopyrano[5,4,3-cde][1]benzopyran-1-yl beta-D-glucopyranoside, 5,6,13-trimethoxy-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Technical Specifications
| Molecular Formula | C23H22O13 |
| Molecular Weight | 506.10605 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.10605 Da |
| Heavy Atoms | 36 |
| Complexity | 839.0 |
| SMILES | COC1=C(C2=C3C(=C1)OC(=O)C4=C3C(=CC(=C4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OC2=O)OC |
| InChIKey | GTSLCJJADQBPEM-WBKKLFQOSA-N |
Chemical Property Profile of 3,7,8-Tri-O-methylellagic acid 4-glucoside
Property Insights of 3,7,8-Tri-O-methylellagic acid 4-glucoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,8-Tri-O-methylellagic acid 4-glucoside. The TPSA of 180.0 Ų indicates high polarity, suggesting 3,7,8-Tri-O-methylellagic acid 4-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7,8-Tri-O-methylellagic acid 4-glucoside has 4 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 3,7,8-Tri-O-methylellagic acid 4-glucoside?
The CAS number of 3,7,8-Tri-O-methylellagic acid 4-glucoside is 114942-09-5.
What is the molecular formula of 3,7,8-Tri-O-methylellagic acid 4-glucoside?
The molecular formula of 3,7,8-Tri-O-methylellagic acid 4-glucoside is C23H22O13.
What is the molecular weight of 3,7,8-Tri-O-methylellagic acid 4-glucoside?
The molecular weight of 3,7,8-Tri-O-methylellagic acid 4-glucoside is 506.10605 g/mol.
Where can I buy 3,7,8-Tri-O-methylellagic acid 4-glucoside?
You can request a quote for 3,7,8-Tri-O-methylellagic acid 4-glucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7,8-Tri-O-methylellagic acid 4-glucoside?
Yes, CoreyChem provides custom synthesis services for 3,7,8-Tri-O-methylellagic acid 4-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.