ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL195989
CHEMBL195989
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H10O5

Additional synonyms for CHEMBL195989 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O)C(=O)CO
Standard InChI InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-, ...
Download InChI
Standard InChI Key ZAQJHHRNXZUBTE-NQXXGFSBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL195989

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 -2.74 4 97.99 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
11.9 - -.85 -.85 0 10 0.35

Structural Alerts

There are 3 structural alerts for CHEMBL195989. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZAQJHHRNXZUBTE-NQXXGFSBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL195989



ACToR 5556-48-9 488-84-6
Brenda 922 44771
ChEBI 17173
EPA CompTox Dashboard DTXSID30204115
FDA SRS Z7U4KG0138
Human Metabolome Database HMDB0000621
Metabolights MTBLC17173
MolPort MolPort-004-780-313
Nikkaji J6.034H
PDBe RBL
PubChem 151261
PubChem: Thomson Pharma 16946722
Recon rbl_D
Rhea 17173
SureChEMBL SCHEMBL44299
ZINC ZINC000000902225

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