Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J5JKF7VX5A
EPA CompTox DTXSID90199497

Structure

InChI Key BAXHHWZKQZIJID-UHFFFAOYSA-N
Smiles O=C(COP(=O)(O)O)NO
InChI
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6NO6P
Molecular Weight 170.99
AlogP -0.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 119.58
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 51528-59-7
NORMAN SUSDAT
FDA SRS J5JKF7VX5A
PubChem 4797