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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145233
CHEMBL145233
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H12O8P2

Additional synonyms for CHEMBL145233 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/COP(=O)(O)OP(=O)(O)O)\CO
Standard InChI InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6 ...
Download InChI
Standard InChI Key MDSIZRKJVDMQOQ-GORDUTHDSA-N

Structural Alerts

There are 10 structural alerts for CHEMBL145233. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL145233

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
262.1 262.0007 -0.34 6 153.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.03 - -1.9 -7.14 0 15 0.37

Compound Cross References

ChemSpider ChemSpider:MDSIZRKJVDMQOQ-GORDUTHDSA-N
Wikipedia (E)-4-Hydroxy-3-methyl-but-2-enyl_pyrophosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145233



ChEBI 15664
KEGG Ligand C11811
Nikkaji J1.669.907A J1.892.495A
PDBe H6P
PubChem 5281976
PubChem: Thomson Pharma 14795149
SureChEMBL SCHEMBL83423

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