Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'→5'-ester with 3-(aminocarbonyl)-1-β-d-ribofuranosylpyridinium hydroxide, inner salt, disodium salt

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June-October 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: study done according to the respective OECD guideline under GLP

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

GLP compliance:

yes

Type of method:

other: differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'→5'-ester with 3-(aminocarbonyl)-1-β-d-ribofuranosylpyridinium hydroxide, inner salt, disodium salt

EC Number:

246-129-8

EC Name:

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'→5'-ester with 3-(aminocarbonyl)-1-β-d-ribofuranosylpyridinium hydroxide, inner salt, disodium salt

Cas Number:

24292-60-2

Molecular formula:

C21H28N7O17P3.2Na

IUPAC Name:

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'→5'-ester with 3-(aminocarbonyl)-1-β-d-ribofuranosylpyridinium hydroxide, inner salt, disodium salt

Details on test material:

- Substance type: organic
- Physical state: white powder
- Storage condition of test material: in refrigerator (2-8°C)

Results and discussion

Melting / freezing point

Remarks on result:

other: reaction and/or decomposition of the substance was observed starting at 175°C. Melting point was not observed below which reaction and/or decomposition of the substance started. the test substance has no melting point

Applicant's summary and conclusion

Conclusions:

Reaction and/or decomposition of the test substance was observed starting at 175°C (448K). Melting and/or boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test substance has no melting and/or boiling
temperature.

Executive summary:

The melting temperature of the test substance were determined using differential scanning calorimetry (DSC) acc. to OECD guideline 102. The melting temperature is defined as the temperature at which the phase transition from solid to liquid state takes place at normal atmospheric pressure. This temperature ideally corresponds to the solidification or freezing temperature.

In the Preliminary test 2.73 mg test substance was heated with a rate of 20°C/minute from 25°C to 550°C. At this point 39.90% weight loss of the test substance was observed. After the experiment, the sample was cooled to 50°C and the consistency of the test substance was determined.

In the main study an endothermic peak between 50°C and 175°C was observed. The effect was most likely obtained due to evaporation of some water vapour, attached to the test substance. An exothermic effect was seen between 175°C and 225°C. This effect is most likely due to reaction and/or decomposition of the test substance. No melting and/or boiling point could be observed. After the experiment, a black charred residue remained in the sample container.