Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UDP2G9LN2X
EPA CompTox DTXSID40167060

Structure

InChI Key WZPMZMCZAGFKOC-UHFFFAOYSA-N
Smiles CC(C)OP(=O)(O)OC(C)C
InChI
InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15O4P1
Molecular Weight 182.07
AlogP 1.94
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.76
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1611-31-0
NORMAN SUSDAT
FDA SRS UDP2G9LN2X
PubChem 74162
ChemSpider 66772.0