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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444125
CHEMBL444125
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H10O5

Additional synonyms for CHEMBL444125 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)[C@H](O)[C@@H]1O
Standard InChI InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4- ...
Download InChI
Standard InChI Key HMFHBZSHGGEWLO-SOOFDHNKSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL444125

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
150.1 150.0528 -2.58 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
12.16 - -1.7 -1.7 0 10 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL444125. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HMFHBZSHGGEWLO-SOOFDHNKSA-N
PubChem SID: 57260387

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444125



Brenda 16502 292 3668 105853 105852
ChEBI 47013
ChemicalBook CB1418895
eMolecules 531341
Human Metabolome Database HMDB0000283
IBM Patent System 84E652E7BC5125264034904B172ACC89
KEGG Ligand C00121
Metabolights MTBLC47013
MolPort MolPort-003-939-231
Nikkaji J275.625K
PubChem 5779
PubChem: Thomson Pharma 14772282 14747879
Recon rib_D
Rhea 47013
SureChEMBL SCHEMBL27218

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