TL;DR: [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) (CAS 160320-66-1) is a chemical compound with molecular formula C24H21O12P3 and molecular weight 594.0246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4,6-triphenyl-3,5-diphosphonooxyphenyl) dihydrogen phosphate
Also Known As: 2,4,6-Triphenyl-1,3,5-benzenetriol trisphosphoric acid, (2,4,6-triphenyl-3,5-diphosphonooxy-phenoxy)phosphonic Acid, [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate), {[3,5-diphenyl-4,6-bis(phosphonooxy)-[1,1'-biphenyl]-2-yl]oxy}phosphonic acid
| Molecular Formula | C24H21O12P3 |
| Molecular Weight | 594.0246 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.0246 Da |
| Heavy Atoms | 39 |
| Complexity | 792.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C(=C(C(=C2OP(=O)(O)O)C3=CC=CC=C3)OP(=O)(O)O)C4=CC=CC=C4)OP(=O)(O)O |
| InChIKey | HDXVSXNJVCSCFK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate). The TPSA of 200.0 Ų indicates high polarity, suggesting [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) is 160320-66-1.
The molecular formula of [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) is C24H21O12P3.
The molecular weight of [1,1':3',1''-Terphenyl]-2',4',6'-triol, 5'-phenyl-, tris(dihydrogen phosphate) is 594.0246 g/mol.
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