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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL349605
CHEMBL349605
Compound Name E968
ChEMBL Synonyms E968
Max Phase 0
Trade Names
Molecular Formula C4H10O4

Additional synonyms for CHEMBL349605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O)CO
Standard InChI InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
Standard InChI Key UNXHWFMMPAWVPI-ZXZARUISSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL349605

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
122.1 122.0579 -1.92 3 80.92 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.27 - -2.17 -2.17 0 8 0.35

Structural Alerts

There are no structural alerts for CHEMBL349605

Compound Cross References

ChemSpider ChemSpider:UNXHWFMMPAWVPI-ZXZARUISSA-N
PubChem SID: 144207762 SID: 57260106
Wikipedia Erythritol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL349605



ChEBI 17113
DrugBank DB04481
eMolecules 510233
EPA CompTox Dashboard DTXSID6043919
FDA SRS RA96B954X6
Human Metabolome Database HMDB02994
IBM Patent System B85E7EF1C8D351707059E693AFC4B729
MolPort MolPort-003-933-428
Nikkaji J43.360H
PDBe MRY
PubChem 222285
PubChem: Thomson Pharma 15194422
SureChEMBL SCHEMBL17062
ZINC ZINC17971067

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