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

Structure

InChI Key VEENJGZXVHKXNB-SREVYHEPSA-N
Smiles COP(=O)(OC)OC(=C/C(=O)N(C)C)C
InChI
InChI=1/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16NO5P
Molecular Weight 237.08
AlogP 1.4
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 65.07
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 18250-63-0
NORMAN SUSDAT