Registration Dossier
Registration Dossier
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EC number: 234-293-3 | CAS number: 11071-15-1
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE: MarvinSketch
2. MODEL (incl. version number): 19.10.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: O.O.O.[K+].[K+].O=C1O[Sb-]23OC1C1O[Sb-]4(OC(C(O2)C(=O)O3)C(=O)O4)OC1=O
Data source
Reference
- Reference Type:
- other:
- Title:
- MarvinSketch 19.10
- Year:
- 2 019
- Bibliographic source:
- http://www.chemaxon.com
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
Test material
- Reference substance name:
- Dipotassium bis[μ-[tartrato(4-)-O1,O2:O3,O4]]diantimonate(2-) , stereoisomer
- EC Number:
- 234-293-3
- EC Name:
- Dipotassium bis[μ-[tartrato(4-)-O1,O2:O3,O4]]diantimonate(2-) , stereoisomer
- Cas Number:
- 11071-15-1
- Molecular formula:
- C8H4O12Sb2.2K
- IUPAC Name:
- (2R,3R)-2,3-dihydroxy-butanedioic acid, antimony potassium salt
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- >= -2 - <= 16
- Temp.:
- 298 K
Applicant's summary and conclusion
- Conclusions:
- pKa (Strongest Acidic) = 16
pKa (Strongest Basic) = -2
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