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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

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 -2.94 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
13.14 - -3.26 -3.26 0 12 0.27

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
ChEBI 16813
eMolecules 508877
EPA CompTox Dashboard DTXSID1046051
FDA SRS 113ZQ1Y7DD
Human Metabolome Database HMDB00107
IBM Patent System 890BD94118833D3CFE936816F723C6D7
KEGG Ligand C01697
Mcule MCULE-5520163874
MolPort MolPort-003-933-102
Nikkaji J7.011D
PubChem 11850
PubChem: Thomson Pharma 16020699 123104160
Recon galt
SureChEMBL SCHEMBL25162
ZINC ZINC18006959

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