TL;DR: Trisodium pyrophosphate (CAS 14691-80-6) is a chemical compound with molecular formula HNa3O7P2 and molecular weight 243.88905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;[hydroxy(oxido)phosphoryl] phosphate
Also Known As: Trisodium diphosphate, Trisodium hydrogen diphosphate, Sodium hydrogendiphosphate, Trisodium pyrophosphate, Sodiumhydrogendiphosphate
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | HNa3O7P2 |
| Molecular Weight | 243.88905 g/mol |
| XLogP | -11.6956 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.88905 Da |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| Solubility | Soluble in water |
| SMILES | OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| InChIKey | MLIKYFGFHUYZAL-UHFFFAOYSA-K |
The XLogP value of -11.6956 indicates that Trisodium pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trisodium pyrophosphate. Following Lipinski's Rule of Five, Trisodium pyrophosphate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Trisodium pyrophosphate is 14691-80-6.
The molecular formula of Trisodium pyrophosphate is HNa3O7P2.
The molecular weight of Trisodium pyrophosphate is 243.88905 g/mol.
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