Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3L4WX7B1EI
EPA CompTox DTXSID10912145

Structure

InChI Key USRGIUJOYOXOQJ-UHFFFAOYSA-N
Smiles O=C(O)C(N)C(OP(=O)(O)O)C
InChI
InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10NO6P
Molecular Weight 199.02
AlogP -1.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 130.08
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1114-81-4
NORMAN SUSDAT
FDA SRS 3L4WX7B1EI
PubChem 1016