10967/188 - QDB Compounds

QsarDB Repository

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:1001
Name:D-Fructose
Description:Name was changed from Fructose to D-Fructose
Labels:
CAS:57-48-7
InChi Code:InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.64

experimental value

1.52

Eq.1: General solubility equation (Test set to verify GSE)

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