TL;DR: phenolphthalein diphosphate tetrasodium salt (CAS 123334-09-8) is a chemical compound with molecular formula C20H12Na4O10P2 and molecular weight 565.94965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate
Also Known As: Phenolphthalein Diphosphate Tetrasodium Salt, Phenolphthaleindiphosphatetetrasodiumsalt, EINECS 272-326-3, 7622AH, Phenolphthalein bisphosphate (sodium)
| Molecular Formula | C20H12Na4O10P2 |
| Molecular Weight | 565.94965 g/mol |
| XLogP | -11.4201 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.94965 Da |
| Heavy Atoms | 36 |
| Complexity | 749.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | HTMKLCRJVFFVDW-UHFFFAOYSA-J |
The XLogP value of -11.4201 indicates that phenolphthalein diphosphate tetrasodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting phenolphthalein diphosphate tetrasodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, phenolphthalein diphosphate tetrasodium salt has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of phenolphthalein diphosphate tetrasodium salt is 123334-09-8.
The molecular formula of phenolphthalein diphosphate tetrasodium salt is C20H12Na4O10P2.
The molecular weight of phenolphthalein diphosphate tetrasodium salt is 565.94965 g/mol.
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