Molecule ID: 72551539

IUPAC Name: 6-(hydroxymethyl)-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione

Description: The molecule is the pteridine that is lumazine substituted with a hydroxymethyl group at C-6 and a 1-D-ribityl group at N-8. It derives from a ribitol and a lumazine.

SMILES: O=c1nc(O)c2nc(CO)cn(C[C@H](O)[C@H](O)[C@H](O)CO)c-2n1

SELFIES: [O][=C][N][=C][Branch1][C][O][C][=N][C][Branch1][Ring1][C][O][=C][N][Branch1][S][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][Ring1][P][=N][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7+,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -4.3