TL;DR: Di-myo-inositol-1,1'-phosphate (CAS 143491-08-1) is a chemical compound with molecular formula C12H23O14P and molecular weight 422.08255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Also Known As: Ins-P-ins, Di-myo-inositol-1,1'-phosphate, Di-myoinositol-1,1'-phosphate, Di-myo-Inositol 1,1 -phosphate, myo-Inostil, 1,1'-(hydrogen phosphate)
| Molecular Formula | C12H23O14P |
| Molecular Weight | 422.08255 g/mol |
| XLogP | -7.5 |
| Topological Polar Surface Area (TPSA) | 258.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08255 Da |
| Heavy Atoms | 27 |
| Complexity | 486.0 |
| SMILES | [C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)(O)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)O)O |
| InChIKey | FIIUDBCIQWHEHT-RXFXWCQRSA-N |
The XLogP value of -7.5 indicates that Di-myo-inositol-1,1'-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting Di-myo-inositol-1,1'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Di-myo-inositol-1,1'-phosphate has 11 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Di-myo-inositol-1,1'-phosphate is 143491-08-1.
The molecular formula of Di-myo-inositol-1,1'-phosphate is C12H23O14P.
The molecular weight of Di-myo-inositol-1,1'-phosphate is 422.08255 g/mol.
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