ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL218804
CHEMBL218804
Compound Name ASCORBYL STEARATE
ChEMBL Synonyms E305
Max Phase 0
Trade Names
Molecular Formula C24H42O7

Additional synonyms for CHEMBL218804 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
Standard InChI InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key LITUBCVUXPBCGA-WMZHIEFXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL218804

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
442.6 442.2931 5.41 19 113.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.96 - 5.99 2.78 0 31 0.18

Structural Alerts

There are 11 structural alerts for CHEMBL218804. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LITUBCVUXPBCGA-WMZHIEFXSA-N
Wikipedia Ascorbyl_stearate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL218804



ChemicalBook CB8463687
eMolecules 25690718
EPA CompTox Dashboard DTXSID00894148
FDA SRS 7Z1QT341US
Nikkaji J2.486.961J J227.029C
PubChem 54725318
SureChEMBL SCHEMBL16202
ZINC ZINC000100044734

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