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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL202243
CHEMBL202243
Compound Name
ChEMBL Synonyms (R)-2,3-Bis(Octyloxy)Propyl Dihydrogen Phosphate
Max Phase 0
Trade Names
Molecular Formula C19H41O6P

Additional synonyms for CHEMBL202243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCOC[C@H](COP(=O)(O)O)OCCCCCCCC
Standard InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20, ...
Download InChI
Standard InChI Key GDLXQEKNJMCXRS-LJQANCHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL202243

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
396.5 396.2641 5.22 20 85.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 - 4.37 .1 0 26 0.22

Structural Alerts

There are 11 structural alerts for CHEMBL202243. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GDLXQEKNJMCXRS-LJQANCHMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL202243



BindingDB 50176400
IBM Patent System BFE741875969F4FC8D85BF6D8E1E2B27
PubChem 44407397
ZINC ZINC000038155532

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