4-O-Digalloyl-3,5-di-O-galloylquinic acid
TL;DR: 4-O-Digalloyl-3,5-di-O-galloylquinic acid (CAS 123134-19-0) is a chemical compound with molecular formula C35H28O22 and molecular weight 800.10724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(3R,5R)-4-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Also Known As: 3,5,4,4-Tetragqa, 3,5-G-4-diGQA, 3,5-Di-O-galloyl-4-O-digalloylquinic acid, 4-O-Digalloyl-3,5-di-O-galloylquinic acid, 3,5-Di-galloyl-4-O-digalloylquinic acid
Technical Specifications
| Molecular Formula | C35H28O22 |
| Molecular Weight | 800.10724 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 385.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 800.10724 Da |
| Heavy Atoms | 57 |
| Complexity | 1370.0 |
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | IUPQNOUMMBZOED-JHZIIMIVSA-N |
Chemical Property Profile of 4-O-Digalloyl-3,5-di-O-galloylquinic acid
Property Insights of 4-O-Digalloyl-3,5-di-O-galloylquinic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Digalloyl-3,5-di-O-galloylquinic acid. The TPSA of 385.0 Ų indicates high polarity, suggesting 4-O-Digalloyl-3,5-di-O-galloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Digalloyl-3,5-di-O-galloylquinic acid has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-O-Digalloyl-3,5-di-O-galloylquinic acid?
The CAS number of 4-O-Digalloyl-3,5-di-O-galloylquinic acid is 123134-19-0.
What is the molecular formula of 4-O-Digalloyl-3,5-di-O-galloylquinic acid?
The molecular formula of 4-O-Digalloyl-3,5-di-O-galloylquinic acid is C35H28O22.
What is the molecular weight of 4-O-Digalloyl-3,5-di-O-galloylquinic acid?
The molecular weight of 4-O-Digalloyl-3,5-di-O-galloylquinic acid is 800.10724 g/mol.
Where can I buy 4-O-Digalloyl-3,5-di-O-galloylquinic acid?
You can request a quote for 4-O-Digalloyl-3,5-di-O-galloylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-O-Digalloyl-3,5-di-O-galloylquinic acid?
Yes, CoreyChem provides custom synthesis services for 4-O-Digalloyl-3,5-di-O-galloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.