Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
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: supporting study
Title:
Unnamed
Year:
2012

Materials and methods

Principles of method if other than guideline:
EPI-Suite MPBPWIN v1.43
GLP compliance:
no
Type of method:
other: estimated by calculation

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

Melting / freezing point
Melting / freezing pt.:
349.84 °C
Remarks on result:
other: (Mean or weighted MP)

Applicant's summary and conclusion

Conclusions:
Melting point/freezing point EPISUITE = 349.84 ºC (Mean or weighted MP) (MPBPWIN v1.43)
Executive summary:

Melting point/freezing point EPISUITE = 349.84  ºC (Mean or weighted MP) (MPBPWIN v1.43)