Structure

InChI Key PMMURAAUARKVCB-UHFFFAOYSA-N
Smile OCC1OC(O)CC(O)C1O
InChI
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O5
Molecular Weight 164.16
AlogP -2.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Common Cold 2 D003139 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1880349
EPA CompTox DTXSID50274259
FDA SRS 9G2MP84A8W
PubChem 40
SureChEMBL SCHEMBL148910