D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 2,3,4,6-tetraacetate, (1S)-

Dissociation constant

Link to relevant study record(s)

Reference

Endpoint:

dissociation constant

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 November 2016 to 17 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 112 (Dissociation Constants in Water)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7370 (Dissociation constants in water)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

- Batch n°: I16CB1581
- Analytical purity: 98.61 %
- Expiration date: 2019-04-04
- Storage condition: at room temperature

Dissociating properties:

no

Remarks:

The test item does not contain ionisable groups. No pKa values could be calculated.

The test item does not contain ionisable groups. No pKa values could be calculated

Conclusions:

JNJ-39453349-AAA (T003066) has no pKa values for acidic and basic groups in the logarithm range of 1 – 14.

Description of key information

The calculation method was applied in a GLP study (K1, Reingruber, 2017) as a preliminary test to determine the dissociation constant. Since the test item does not contain ionisable groups, no pKa could be calculated.