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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144103
CHEMBL144103
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H8O10P2

Additional synonyms for CHEMBL144103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(COP(=O)(O)O)OP(=O)(O)O
Standard InChI InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H, ...
Download InChI
Standard InChI Key XOHUEYCVLUUEJJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144103

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
266 265.9593 -1.34 6 170.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.61 - -5.39 -12.58 0 15 0.36

Structural Alerts

There are 6 structural alerts for CHEMBL144103. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XOHUEYCVLUUEJJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144103



ACToR 62868-79-5 138-81-8
Brenda 689 51989 15470 84988 1251 30053
ChEBI 28907
IBM Patent System 81E5CD4CD0FDA9FCF6BCAD5833CE45F1
KEGG Ligand C03339
Metabolights MTBLC28907
Nikkaji J1.206.330J
PubChem 61
PubChem: Thomson Pharma 15021111
SureChEMBL SCHEMBL80335

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