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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1377788
CHEMBL1377788
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12O5

Additional synonyms for CHEMBL1377788 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3- ...
Download InChI
Standard InChI Key PMMURAAUARKVCB-CERMHHMHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1377788

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
164.2 164.0685 -1.75 1 90.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.64 - -.91 -.91 0 11 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL1377788. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PMMURAAUARKVCB-CERMHHMHSA-N
PubChem SID: 56323667

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1377788



ChEBI 84755
eMolecules 496982
Guide to Pharmacology 4643
IBM Patent System 0F7D891C1E43658A442EDAA18C91BEB7
KEGG Ligand C00586
Metabolights MTBLC84755
MolPort MolPort-001-767-885
Nikkaji J872.728G
PubChem 439268
PubChem: Thomson Pharma 15321776 14772480
SureChEMBL SCHEMBL7669

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PMMURAAUARKVCB-CERMHHMHSA-N spacer
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