Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4VGJ4A41L2

Structure

InChI Key LPMRCCNDNGONCD-RITPCOANSA-N
Smiles OC(=O)[C@@H]1C[C@@H](CCN1)C[P](O)(O)=O
InChI
InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N1O5P1
Molecular Weight 223.06
AlogP -0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 106.86
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 110347-85-8
NORMAN SUSDAT
FDA SRS 4VGJ4A41L2