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

Structure

InChI Key YRPONDVXGJOILN-BYPYZUCNSA-N
Smiles N[C@@H](CC[P+](=O)CO)C(O)=O
InChI
InChI=1S/C5H11NO4P/c6-4(5(8)9)1-2-11(10)3-7/h4,7H,1-3,6H2,(H,8,9)/q+1/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O4P1
Molecular Weight 180.04
AlogP -0.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 100.62
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 35597-44-5
NORMAN SUSDAT