Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

16 - 17 December 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

July 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Commission Regulation (EC) No 440/2008 of 30 May 2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH)

Deviations:

no

Principles of method if other than guideline:

Due to the very high water solubility of the test item, estimated in a preliminary test, a modified test design was applied based on the OECD 105 guideline. Instead of equilibrating a large amount of test item with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

EC Number:

274-533-4

EC Name:

Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

Cas Number:

70285-70-0

Molecular formula:

C10H14KN5O10P2

IUPAC Name:

potassium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

impurity 1

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 2

Reference substance name:

Sum of impurities from ADP, K (each < 1 %)

IUPAC Name:

Sum of impurities from ADP, K (each < 1 %)

Test material form:

solid: particulate/powder

Details on test material:

Batch No.: 37779100
Storage Conditions: Refrigerator (approx. 2 °C to 8 °C)

Specific details on test material used for the study:

Lot no. 37779100
Storage: 2–8 °C, protected from light

Results and discussion

Water solubility

Key result

Water solubility:

>= 242 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

23 °C

pH:

>= 2 - <= 3

Details on results:

Preliminary test:
0.1 g of the test item were dissolved in 0.5 ml of ultra-pure water, indicating a water solubility of 200 to 1000 g/l.

Main test:
The results are given in the table in the next section.The water solubility of Adenosine 5’-diphosphate monopotassium salt (dried) was determined accor¬ding to a modified test design based on the OECD 105 guideline. The water solubility was determined as the mean of the replicates analysed with HPLC. As this method does not ensure complete saturation of the solution, it will be given as minimum value in mass per volume of solution.The test is satisfactory if the concentrations of the three vessels do not differ by more than 15%.

Any other information on results incl. tables

HPLC determinations:

Test vessel	pH	determined concentrations [g/l] sample 1	determined concentrations [g/l] sample 2	determined concentrations [g/l] mean
A	2-3	247	243	245
B	2-3	242	242	242
C	2-3	238	240	239
			Overall mean [g/l]: Variation [%]:	242 2.6

Applicant's summary and conclusion

Conclusions:

The water solubility of Adenosine 5’-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) was determined according to a modified test design based on the OECD 105 guideline due to the high water solubility of the test item. The determined water solubility of Adenosine 5’-diphosphate monopotassium salt (dried), calculated as the mean of three test vessels, is =242 g/l at a pH of 2-3 and 23 °C.

Executive summary:

The water solubility of Adenosine 5’-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) was determined according to a modified test design based on the OECD 105 guideline due to the high water solubility of the test item.
To this end, increasing volumes of ultra-pure water were added in a stepwise procedure, to about 1000 mg of the test item at 22 ± 2°C until complete dissolution, which occurred after addition of 3.7 ml water. The concentration of test item was subsequently determined by HPLC with UV detection.
The determined water solubility of Adenosine 5’-diphosphate monopotassium salt (dried), calculated as the mean of three test vessels, is =242 g/l at a pH of 2-3 and 23 °C.
The validity criterion was fulfilled.