Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII YC9U0409D3
EPA CompTox DTXSID30190721

Structure

InChI Key VZEGNYNPDZDIRW-UHFFFAOYSA-M
Smiles [Na+].NCCSP(=O)(O)[O-]
InChI
InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H8N1O3P1S1
Molecular Weight 157.0
AlogP -0.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.55
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3724-89-8
NORMAN SUSDAT
FDA SRS YC9U0409D3
PubChem 23664253
ChemSpider 2813.0