Neopterin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 187
Total Number of Articles : 579
PubChem 135398721
Molecular Formula

C9H11N5O4

SMILES

C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1

synonyms
  • neopterin
  • 2009-64-5
  • D-Neopterin
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Properties
Property Value
MW 253.22 g/mol
HBD 5
HBA 7
Rotatable Bond Count 3
Exact Mass 253.08110385 g/mol
Monoisotopic Mass 253.08110385 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 363
xlogp -3.5
Topological Polar Surface Area 154