TL;DR: Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) (CAS 102850-29-3) is a chemical compound with molecular formula C6H16O18P4 and molecular weight 499.9287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl) dihydrogen phosphate
Also Known As: 1bwn, Inositol 1,3,4,5-tetraphosphate, inositol 1,3,4,5-tetrakisphosphate, MYO-INOSITOL,1,3,4,5-TETRAKIS(DIHYDROGEN PHOSPHATE), D-MYO-INOSITOL 1,3,4,5-TETRAKIS-PHOSPHATE AMMONIUM SALT
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H16O18P4 |
| Molecular Weight | 499.9287 g/mol |
| XLogP | -8.1 |
| Topological Polar Surface Area (TPSA) | 308.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.9287 Da |
| Heavy Atoms | 28 |
| Complexity | 688.0 |
| SMILES | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O |
| InChIKey | CIPFCGZLFXVXBG-UHFFFAOYSA-N |
The XLogP value of -8.1 indicates that Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 308.0 Ų indicates high polarity, suggesting Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) is 102850-29-3.
The molecular formula of Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) is C6H16O18P4.
The molecular weight of Myo-inositol,1,3,4,5-tetrakis(dihydrogen phosphate) is 499.9287 g/mol.
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