Registration Dossier
Registration Dossier
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EC number: 918-279-0 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Internationally accepted calculation method, EPI-Suite EPA (USA).
- Principles of method if other than guideline:
- Calculation by EPI-Suite KOWWIN v1.68 estimate.
- Type of method:
- other: estimated by calculation.
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES : CN(C)C3CC(C)OC(OC2C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NO)C(C)CC2(C)OC)C3O
- Key result
- Partition coefficient:
- 2.96
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).
- Executive summary:
The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).
Reference
KOWWIN V1.68 predicted that (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)-oxy]-14-ethyl-,12,13-dihydroxy-10-(E)-hydroxyimino-3,5,7,9,11,13-hexamethyl-7-O-methyl--6-{[[3,4,6-trideoxy-3-(dimethylamino)- β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecane-2-one ha a Partition coefficient = 2.96
Description of key information
Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated partition coefficient expressed as Log Pow is 2.96 (EPI-Suite, KOWWIN v1.68 estimate).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.96
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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