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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230513
CHEMBL1230513
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H13O10P

Additional synonyms for CHEMBL1230513 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
Standard InChI InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)1 ...
Download InChI
Standard InChI Key BIRSGZKFKXLSJQ-SQOUGZDYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1230513

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
276.1 276.0246 -3.38 7 184.98 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 - -3.8 -9.34 0 17 0.23

Structural Alerts

There are 6 structural alerts for CHEMBL1230513. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIRSGZKFKXLSJQ-SQOUGZDYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230513



ACToR 2464-13-3
BindingDB 50045357
Brenda 391 44158 43607 43608 44701 830 105815 7178
ChEBI 48928
DrugBank DB02076
EPA CompTox Dashboard DTXSID00872623
FDA SRS W31WK7B8U0
Human Metabolome Database HMDB0001316
IBM Patent System 382F7CC8ADA0E8154D1E59BB51AF49C2
KEGG Ligand C00345
Metabolights MTBLC48928
Nikkaji J40.068H
PDBe 6PG
PubChem 91493
SureChEMBL SCHEMBL50297
ZINC ZINC000001532623

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