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

Structure

InChI Key KRTSDMXIXPKRQR-WAYWQWQTSA-N
Smiles CNC(=O)C=C(C)/OP(=O)(OC)OC
InChI
InChI=1/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14NO5P
Molecular Weight 223.06
AlogP 1.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.35
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 919-44-8
NORMAN SUSDAT