3,4-di-O-galloyl-5-O-digalloylquinic acid
TL;DR: 3,4-di-O-galloyl-5-O-digalloylquinic acid (CAS 123134-20-3) 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.
(1R,3R,4S,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Also Known As: 3,4,5,5-Tetragqa, 3,4-G-5-diGQA, 3,4-Di-O-galloyl-5-O-digalloylquinic acid, 5-O-Digalloyl-3,4-di-O-galloylquinic acid, 3,4-Galloyl-5-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 | 1430.0 |
| SMILES | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | OFTCZZCLDWTQNJ-JUUXLJTDSA-N |
Chemical Property Profile of 3,4-di-O-galloyl-5-O-digalloylquinic acid
Property Insights of 3,4-di-O-galloyl-5-O-digalloylquinic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-di-O-galloyl-5-O-digalloylquinic acid. The TPSA of 385.0 Ų indicates high polarity, suggesting 3,4-di-O-galloyl-5-O-digalloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-di-O-galloyl-5-O-digalloylquinic 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 3,4-di-O-galloyl-5-O-digalloylquinic acid?
The CAS number of 3,4-di-O-galloyl-5-O-digalloylquinic acid is 123134-20-3.
What is the molecular formula of 3,4-di-O-galloyl-5-O-digalloylquinic acid?
The molecular formula of 3,4-di-O-galloyl-5-O-digalloylquinic acid is C35H28O22.
What is the molecular weight of 3,4-di-O-galloyl-5-O-digalloylquinic acid?
The molecular weight of 3,4-di-O-galloyl-5-O-digalloylquinic acid is 800.10724 g/mol.
Where can I buy 3,4-di-O-galloyl-5-O-digalloylquinic acid?
You can request a quote for 3,4-di-O-galloyl-5-O-digalloylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-di-O-galloyl-5-O-digalloylquinic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-di-O-galloyl-5-O-digalloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.