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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200919
CHEMBL1200919
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H11NaO7

Additional synonyms for CHEMBL1200919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
Standard InChI InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-1 ...
Download InChI
Standard InChI Key UPMFZISCCZSDND-JJKGCWMISA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1200919

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1200919

Compound Cross References

ChemSpider ChemSpider:UPMFZISCCZSDND-JJKGCWMISA-M
PubChem SID: 144205634 SID: 26757493
Wikipedia Sodium_gluconate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200919



ChEBI 84997
eMolecules 486155 36788246
EPA CompTox Dashboard DTXSID7027170
FDA SRS R6Q3791S76
MolPort MolPort-003-927-373
Nikkaji J6.666D
PubChem 23672301
PubChem: Thomson Pharma 16131633
Selleck sodium-gluconate
SureChEMBL SCHEMBL23640

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UPMFZISCCZSDND-JJKGCWMISA-M spacer
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