Molecule ID: 135874854

IUPAC Name: 2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

Description: The molecule is a tetrahydropterin that is monapterin tetrahydrogenated at positions 5, 6, 7 and 8. It has a role as a cofactor. It is a tetrahydropterin and a member of neopterins.

SMILES: N=c1nc(O)c2c([nH]1)NCC([C@H](O)[C@@H](O)CO)N2

SELFIES: [N][=C][N][=C][Branch1][C][O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch1][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][N][Ring1][=N]

InChI: InChI=1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)/t3?,4-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -3.0