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

Structure

InChI Key UUZLOPBEONRDRY-UHFFFAOYSA-N
Smiles NC(N[P](O)(O)=O)=NCC(O)=O
InChI
InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N3O5P1
Molecular Weight 197.02
AlogP -1.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 142.74
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5115-19-5
NORMAN SUSDAT