Xanthine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 269
Total Number of Articles : 461
PubChem 1188
Molecular Formula

C5H4N4O2

SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

synonyms
  • xanthine
  • 69-89-6
  • 2,6-Dihydroxypurine
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Properties
Property Value
MW 152.11 g/mol
HBD 3
HBA 3
Rotatable Bond Count 0
Exact Mass 152.03342538 g/mol
Monoisotopic Mass 152.03342538 g/mol
Heavy Atom Count 11
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 217
xlogp -0.7
Topological Polar Surface Area 86.9