1,3,4-Tri-O-galloylquinic acid
TL;DR: 1,3,4-Tri-O-galloylquinic acid (CAS 110082-89-8) is a chemical compound with molecular formula C28H24O18 and molecular weight 648.09625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Also Known As: 1,3,4-Tri-O-galloylquinic acid, Benzoic acid, 3,4,5-trihydroxy-, 4-carboxy-6-hydroxy-1,2,4-cyclohexanetriyl ester, (1R-(1alpha,2beta,4alpha,6alpha)-)-, (1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid, Benzoic acid,3,4,5-trihydroxy-, (1R,2R,4S,6R)-4-carboxy-6-hydroxy-1,2,4-cyclohexanetriylester, (1S,3R,4R,5R)-3-hydroxy-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
Technical Specifications
| Molecular Formula | C28H24O18 |
| Molecular Weight | 648.09625 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 319.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 648.09625 Da |
| Heavy Atoms | 46 |
| Complexity | 1100.0 |
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| InChIKey | MFFWGSMFANTCDY-LGFATHPOSA-N |
Chemical Property Profile of 1,3,4-Tri-O-galloylquinic acid
Property Insights of 1,3,4-Tri-O-galloylquinic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Tri-O-galloylquinic acid. The TPSA of 319.0 Ų indicates high polarity, suggesting 1,3,4-Tri-O-galloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4-Tri-O-galloylquinic acid has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3,4-Tri-O-galloylquinic acid?
The CAS number of 1,3,4-Tri-O-galloylquinic acid is 110082-89-8.
What is the molecular formula of 1,3,4-Tri-O-galloylquinic acid?
The molecular formula of 1,3,4-Tri-O-galloylquinic acid is C28H24O18.
What is the molecular weight of 1,3,4-Tri-O-galloylquinic acid?
The molecular weight of 1,3,4-Tri-O-galloylquinic acid is 648.09625 g/mol.
Where can I buy 1,3,4-Tri-O-galloylquinic acid?
You can request a quote for 1,3,4-Tri-O-galloylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4-Tri-O-galloylquinic acid?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Tri-O-galloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.