Molecule ID: 135398710

IUPAC Name: 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one

Description: The molecule is a member of the class of tetrahydropterins that is 2-amino-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydropteridin-4-one carrying four additional hydroxy substituents at positions 5, 6, 7 and 8. It is a tetrahydropterin and a member of neopterins.

SMILES: N=c1nc(O)c2c([nH]1)N(O)C(O)C(O)(C(O)C(O)CO)N2O

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

InChI: InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)

Molecular Properties:
- Polar Surface Area: 216.0 Ų
- LogP: -3.3