Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YPFUJZAAZJXMIP-UHFFFAOYSA-N
Smiles O=S(=O)(O)CC(O)CO
InChI
InChI=1/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O5S
Molecular Weight 156.01
AlogP -1.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 94.83
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 10296-76-1
NORMAN SUSDAT
PubChem 112025