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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL111016
CHEMBL111016
Compound Name SODIUM PYROSULFATE
ChEMBL Synonyms Sodium Bisulfate | Sodium Disulfate | Sodium Pyrosulfate
Max Phase 0
Trade Names
Molecular Formula Na2O7S2

Additional synonyms for CHEMBL111016 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[O-]S(=O)(=O)OS(=O)(=O)[O-]
Standard InChI InChI=1S/2Na.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5, ...
Download InChI
Standard InChI Key JXAZAUKOWVKTLO-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL111016

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
178.1 177.9242 -1.39 2 117.97 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-7.18 - -1.54 -6.04 0 9 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL111016. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JXAZAUKOWVKTLO-UHFFFAOYSA-L
Wikipedia Sodium_pyrosulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL111016



ChemicalBook CB0313096
EPA CompTox Dashboard DTXSID60889631
MolPort MolPort-006-106-630
Nikkaji J280.351H
PubChem 9794487
PubChem: Thomson Pharma 14749135
SureChEMBL SCHEMBL123783

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JXAZAUKOWVKTLO-UHFFFAOYSA-L spacer
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