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ChEMBL Statistics
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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 6.18 20 113.29 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 0.15

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



eMolecules 25690718
FDA SRS 7Z1QT341US
MolPort MolPort-023-220-436
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
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