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

Structure

InChI Key WLTKMXYMVTXVPF-UHFFFAOYSA-N
Smiles CCOc1cc(O[P](=O)(OC)OC)nc(CC)n1
InChI
InChI=1S/C10H17N2O5P/c1-5-8-11-9(16-6-2)7-10(12-8)17-18(13,14-3)15-4/h7H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N2O5P1
Molecular Weight 276.09
AlogP 2.22
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 79.77
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 59399-24-5
NORMAN SUSDAT