Molecule ID: 86289924

IUPAC Name: 2-amino-6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridin-4-one

Description: The molecule is a member of the family of pteridines that is 2-amino-6,7-dimethyl-4-oxo-4,8-dihydropteridine in which the hydrogen at position 8 is replaced by a D-ribityl group. It derives from a ribitol.

SMILES: Cc1nc2c(O)nc(=N)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C

SELFIES: [C][C][N][=C][C][Branch1][C][O][=N][C][=Branch1][C][=N][N][=C][Ring1][Branch2][N][Branch1][S][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=Ring2][Ring1][Branch1][C]

InChI: InChI=1S/C13H19N5O5/c1-5-6(2)18(3-7(20)10(22)8(21)4-19)11-9(15-5)12(23)17-13(14)16-11/h7-8,10,19-22H,3-4H2,1-2H3,(H2,14,17,23)/t7-,8+,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: -3.0