Molecule ID: 135398729

IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-3H-pteridin-4-one

Description: The molecule is a pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature. It has a role as a metabolite and a coenzyme.

SMILES: CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1

SELFIES: [C][C][Branch1][C][O][C][Branch1][C][O][C][=C][N][=C][NH1][C][=Branch1][C][=N][N][=C][Branch1][C][O][C][Ring1][Branch2][=N][Ring1][N]

InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -2.4