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EC number: 213-579-1 | CAS number: 987-65-5
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 - 24 October 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- see principles of method if other than guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- yes
- Remarks:
- see principles of method if other than guideline
- Principles of method if other than guideline:
- Due to very high water solubility of the test item, estimated in a preliminary test, a modified TG OECD 105 design was conducted. 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
- Reference substance name:
- Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
- EC Number:
- 213-579-1
- EC Name:
- Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
- Cas Number:
- 987-65-5
- Molecular formula:
- C10H14N5O13P3.2Na
- IUPAC Name:
- disodium hydrogen [({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Reference substance name:
- Unknown impurities.
- Molecular formula:
- Not available as unknown impurities.
- IUPAC Name:
- Unknown impurities.
- Test material form:
- solid: crystalline
- Details on test material:
- Storage conditions: 2-8°C
Batch No: 11678500
Constituent 1
impurity 1
impurity 2
Results and discussion
Water solubility
- Key result
- Water solubility:
- >= 573 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 22 °C
- pH:
- 3
- Details on results:
- Preliminary test
The content of test item dissolved in the water sample was 200 to 1000 g/L (test 1) and >= 500 g/L (test 2).
Main test
The results are given in the table in the next section. 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 is 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 | Analysed concentration A (g/L) | Analysed concentration B (g/L) | Mean (g/L) |
| No. 1 | 3 | 563 | 565 | 564 |
| No. 2 | 3 | 591 | 560 | 576 |
| No. 3 | 3 | 576 | 584 | 580 |
| Overall Mean | 573 |
The concentrations of the three vessels differed
by 3% (validity criterion given by OECD is met).
Applicant's summary and conclusion
- Conclusions:
- The water solubility of ATP, Di-Na (CAS no. 987-65-5) was determined according to a modified TG OECD 105 design.
The water solubility of the test item at 22°C was >= 573 g/L. The pH of the aqueous samples was 3. - Executive summary:
The water solubility of ATP, Di-Na (CAS no. 987-65-5) was determined according to a modified TG OECD 105 design.
To this end, increasing volumes of water were added in a stepwise procedure, to approximately 1 g of the test item at 22 ± 2 °C until complete dissolution, which occurred after addition of 1.3 ml of water. The concentration of test item was subsequently determined by HPLC with UV detection.
The determined water solubility of ATP, Di-Na is >= 573 g/l at pH 3 and at 22 °C.
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