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:1004
Name:D-Glucose
Description:Name was changed from Glucose to D-Glucose
Labels:
CAS:50-99-7
InChi Code:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-2.41

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.74

experimental value

1.5

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

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