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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1773904
CHEMBL1773904
Compound Name GALACTITOL
ChEMBL Synonyms Galactitol
Max Phase 0
Trade Names
Molecular Formula C6H14O6

Additional synonyms for CHEMBL1773904 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
Standard InChI InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3 ...
Download InChI
Standard InChI Key FBPFZTCFMRRESA-GUCUJZIJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1773904

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
182.2 182.079 -3.59 5 121.38 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.13 - -3.26 -3.26 0 12 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL1773904. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBPFZTCFMRRESA-GUCUJZIJSA-N
PubChem SID: 144205196 SID: 170465564 SID: 170465565
Wikipedia Galactitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1773904



ACToR 18089-21-9
Brenda 210615 163684 8397 3818 10650
ChEBI 16813
ChemicalBook CB5174210
eMolecules 508877
EPA CompTox Dashboard DTXSID1046051
FDA SRS 113ZQ1Y7DD
Human Metabolome Database HMDB0000107
IBM Patent System 890BD94118833D3CFE936816F723C6D7
KEGG Ligand C01697
Mcule MCULE-5520163874
Metabolights MTBLC16813
MolPort MolPort-003-933-102
Nikkaji J7.011D
PubChem 11850
PubChem: Thomson Pharma 123104160 16020699
Recon galt
Rhea 16813
SureChEMBL SCHEMBL25162
ZINC ZINC000018006959

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