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

Structure

InChI Key GVMCXWJIRSIWFJ-JTQLQIEISA-O
Smiles CC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC
InChI
InChI=1S/C10H24NO5P/c1-6-10(14-5)9-16-17(12,13)15-8-7-11(2,3)4/h10H,6-9H2,1-5H3/p+1/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H25N1O5P1
Molecular Weight 270.15
AlogP 1.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 64.99
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 77286-66-9
NORMAN SUSDAT