Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40939507

Structure

InChI Key KGMHAIHCEYDEIV-UHFFFAOYSA-N
Smiles O=C1N(CO)C(O)C(O)N1COC
InChI
InChI=1/C6H12N2O5/c1-13-3-8-5(11)4(10)7(2-9)6(8)12/h4-5,9-11H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O5
Molecular Weight 192.07
AlogP -2.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 93.47
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18190-99-3
NORMAN SUSDAT
PubChem 86674