Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Title:
Inosine/58-63-9
Year:
2017
Bibliographic source:
https://chem.nlm.nih.gov/chemidplus/rn/58-63-9

Materials and methods

Principles of method if other than guideline:
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Inosine
EC Number:
200-390-4
EC Name:
Inosine
Cas Number:
58-63-9
Molecular formula:
C10H12N4O5
IUPAC Name:
(2R,3R,4S,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Test material form:
solid: particulate/powder

Results and discussion

Partition coefficient
Type:
log Pow
Remarks on result:
other: - 2.1

Applicant's summary and conclusion

Conclusions:
Log P (octanol-water): - 2.1