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

Structure

InChI Key GFYLSDSUCHVORB-UHFFFAOYSA-N
Smiles Cn1cnc2c(c1=N)ncn2C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N5O4
Molecular Weight 281.11
AlogP -2.14
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 129.41
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 15763-06-1
NORMAN SUSDAT
PubChem 260623
ChemSpider 17216227.0