Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30886692

Structure

InChI Key HANPRQSGPQGEDO-UHFFFAOYSA-N
Smiles O=C1N(COC(C)C)C(O)C(O)N1COC(C)C
InChI
InChI=1/C11H22N2O5/c1-7(2)17-5-12-9(14)10(15)13(11(12)16)6-18-8(3)4/h7-10,14-15H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2O5
Molecular Weight 262.15
AlogP 0.13
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 82.47
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 64611-83-2
NORMAN SUSDAT
PubChem 115838