TL;DR: Y-Art-3 (CAS 179465-88-4) is a chemical compound with molecular formula C41H17Na15O71S15 and molecular weight 2469.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentadecasodium;[2,3-disulfonatooxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trisulfonatooxybenzoyl)oxy]oxan-2-yl]methoxycarbonyl]phenyl] sulfate
Also Known As: Sulfated pentagalloyl glucose, Y-Art-3, Y-Art 3, Pentakis(3,4,5-trihydroxybenzoate)-beta-D-glucopyranose hydrogen sulfate, sodium salt, pentadecasodium 2,3-bis(sulfonatooxy)-5-({[(2r,3r,4s,5r,6s)-3,4,5,6-tetrakis{[3,4,5-tris(sulfonatooxy)benzoyl]oxy}tetrahydro-2h-pyran-2-yl]methoxy}carbonyl)phenyl sulfate(non-preferred name)
| Molecular Formula | C41H17Na15O71S15 |
| Molecular Weight | 2469.1995 g/mol |
| XLogP | -56.25 |
| Topological Polar Surface Area (TPSA) | 1260.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 71 |
| Rotatable Bonds | 31 |
| Exact Mass | 2469.1995 Da |
| Heavy Atoms | 142 |
| Complexity | 5410.0 |
| SMILES | C1=C(C=C(C(=C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)C4=CC(=C(C(=C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)C5=CC(=C(C(=C5)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)C6=CC(=C(C(=C6)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | LBWYLPIZCCOUQX-MWKYKVQMSA-A |
The XLogP value of -56.25 indicates that Y-Art-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1260.0 Ų indicates high polarity, suggesting Y-Art-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Y-Art-3 has 0 hydrogen bond donor(s) and 71 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Y-Art-3 is 179465-88-4.
The molecular formula of Y-Art-3 is C41H17Na15O71S15.
The molecular weight of Y-Art-3 is 2469.1995 g/mol.
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