TL;DR: 5-PP-InsP5 (CAS 149714-25-0) is a chemical compound with molecular formula C6H19O27P7 and molecular weight 739.8277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
Also Known As: 5-PP-InsP5, InsP7, 5beta-IP7, PP-InsP5, 5beta 5PP-IP5
| Molecular Formula | C6H19O27P7 |
| Molecular Weight | 739.8277 g/mol |
| XLogP | -11.4 |
| Topological Polar Surface Area (TPSA) | 447.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 739.8277 Da |
| Heavy Atoms | 40 |
| Complexity | 1160.0 |
| SMILES | [C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
| InChIKey | UPHPWXPNZIOZJL-UYSNGIAKSA-N |
The XLogP value of -11.4 indicates that 5-PP-InsP5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 447.0 Ų indicates high polarity, suggesting 5-PP-InsP5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-PP-InsP5 has 13 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-PP-InsP5 is 149714-25-0.
The molecular formula of 5-PP-InsP5 is C6H19O27P7.
The molecular weight of 5-PP-InsP5 is 739.8277 g/mol.
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