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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Remarks:
melting point
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)
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation by EPI Suite (Mean or Weighted MP) , MPBPVP (v.1.43)
GLP compliance:
no
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
Melting / freezing pt.:
349.84 °C
Remarks on result:
other: QSAR predicted value

MPBPVP (v.1.43) 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 has a melting point = 349.84 ºC.

Conclusions:
The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).
Executive summary:

The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
349.84 °C

Additional information