Molecule ID: 135476778

IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-3,5,6,7-tetrahydropteridin-4-one

Description: The molecule is a tetrahydropterin that is 5,6,7,8-tetrahydrobiopterin carrying an additional hydroxy substituent at the 4a-position. It has a role as a human metabolite. It is a tetrahydropterin and a hemiaminal. It derives from a 5,6,7,8-tetrahydrobiopterin.

SMILES: CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1

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

InChI: InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -3.7