Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D5J0Q2CM4V
EPA CompTox DTXSID10147910

Structure

InChI Key KUQZVISZELWDNZ-UHFFFAOYSA-N
Smiles NCCCO[P](O)(O)=O
InChI
InChI=1S/C3H10NO4P/c4-2-1-3-8-9(5,6)7/h1-4H2,(H2,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H10N1O4P1
Molecular Weight 155.03
AlogP -0.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 92.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1071-28-9
NORMAN SUSDAT
FDA SRS D5J0Q2CM4V