HuagongsheHuagongshe Chemistry Print Report · For research reference only
Di-myo-inositol-1,1'-phosphate
Ins-P-ins · di-myo-inositol-1,1'-phosphate · myo-Inositol, 1,1'-(hydrogen phosphate) · bis[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Identifiers & Physical Properties
| CAS No. | 143491-08-1 |
|---|---|
| Molecular formula | C12H23O14P |
| Average molar mass | 422.28 g/mol |
| Monoisotopic mass | 422.0825424 g/mol |
| SMILES | O=P(O)(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O |
| InChIKey | FIIUDBCIQWHEHT-RXFXWCQRSA-N |
| PubChem CID | 3083380 |
| DTXSID | DTXSID40931905 |
Chemical & Physical Properties
| XLogP | -7.5 |
|---|---|
| Topological polar surface area | 258 |
| Hydrogen bond donors | 11 |
| Hydrogen bond acceptors | 14 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 486 |
| Boiling point | 648.1±65.0 °C(Predicted) |
| Density | 2.04±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.44±0.50(Predicted) |