TL;DR: metaphosphoric acid, (h6p6o18), calcium salt (CAS 10102-76-8) is a chemical compound with molecular formula Ca3O18P6 and molecular weight 593.6388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
Also Known As: tricalcium, Calcium hexametaphosphate, Ca.xH6O18P6, Ca.x-H6-O18-P6, Metaphosphoric acid (H6P6O18), calcium salt
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | Ca3O18P6 |
| Molecular Weight | 593.6388 g/mol |
| XLogP | -4.23 |
| Topological Polar Surface Area (TPSA) | 296.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 0 |
| Exact Mass | 593.6388 Da |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
| SMILES | [O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2] |
| InChIKey | KRSIWAJXDVVKLZ-UHFFFAOYSA-H |
The XLogP value of -4.23 indicates that metaphosphoric acid, (h6p6o18), calcium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting metaphosphoric acid, (h6p6o18), calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, metaphosphoric acid, (h6p6o18), calcium salt has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of metaphosphoric acid, (h6p6o18), calcium salt is 10102-76-8.
The molecular formula of metaphosphoric acid, (h6p6o18), calcium salt is Ca3O18P6.
The molecular weight of metaphosphoric acid, (h6p6o18), calcium salt is 593.6388 g/mol.
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