Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 986 | |
|---|---|---|
| Name: | D-chiro-Inositol | |
| Description: | Name was changed from d-Inositol to D-chiro-Inositol | |
| Labels: | ||
| CAS: | 643-12-9 | |
| InChi Code: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| 0.35 |
experimental value |
| -1.37 |
Eq.1: General solubility equation (Test set to verify GSE) |