Molecule ID: 135911931

IUPAC Name: 2-amino-6-[(S)-hydroxy-[(4R)-2-oxido-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl]-7,8-dihydro-3H-pteridin-4-one

Description: The molecule is an organophosphate oxoanion that is the conjugate base of 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate, arising from deprotonation of the phosphate OH. It is a conjugate base of a 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate.

SMILES: N=c1nc([O-])c2c([nH]1)NCC([C@H](O)[C@H]1COP(=O)(O)O1)=N2

SELFIES: [N][=C][N][=C][Branch1][C][O-1][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch2][Ring1][C][C@H1][Branch1][C][O][C@H1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][Ring1][#Branch1][=N][Ring1][S]

InChI: InChI=1S/C9H12N5O6P/c10-9-13-7-5(8(16)14-9)12-3(1-11-7)6(15)4-2-19-21(17,18)20-4/h4,6,15H,1-2H2,(H,17,18)(H4,10,11,13,14,16)/p-1/t4-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: -3.4