Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI-Suite EPA (USA)

Data source

Reference
Reference Type:
other: estimated by calculation
Title:
Unnamed
Year:
2012

Materials and methods

Principles of method if other than guideline:
EPI-Suite KOWWIN v1.68 estimate
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one hydrochloride
Cas Number:
26116-57-4
Molecular formula:
C37H69ClN2O13
IUPAC Name:
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one hydrochloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.52
Remarks on result:
other: log Kow (KOWWIN v1.68 estimate)

Applicant's summary and conclusion

Conclusions:
Log Pow EPISUITE = 2.52 (KOWWIN v1.68 estimate)
Executive summary:

Log Pow EPISUITE = 2.52 (KOWWIN v1.68 estimate)