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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186162
CHEMBL3186162
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H12O5

Additional synonyms for CHEMBL3186162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)C(O)[C@H](O)CO
Standard InChI InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m ...
Download InChI
Standard InChI Key HEBKCHPVOIAQTA-QWWZWVQMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3186162

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
152.2 152.0685 -2.95 4 101.15 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 - -2.65 -2.65 0 10 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL3186162. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HEBKCHPVOIAQTA-QWWZWVQMSA-N
PubChem SID: 144205060

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186162



ACToR 2152-56-9 8048-22-4
Brenda 210612 105846 136600 4906 2268 34812 34941 1786
ChEBI 18333
ChemicalBook CB2424877 CB4353243
eMolecules 478321
EPA CompTox Dashboard DTXSID4045979
FDA SRS BOA443XF1X
Human Metabolome Database HMDB0000568
IBM Patent System 73E5135A087FFB8E712D07E9AE473845
Metabolights MTBLC18333
MolPort MolPort-002-911-501
Nikkaji J12.591A
PubChem 94154
PubChem: Thomson Pharma 16581543 14772311
Rhea 18333
SureChEMBL SCHEMBL22830
ZINC ZINC000000895205

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