Molecule ID: 118704577

IUPAC Name: (4aR,6S,7S,7aS)-6-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Description: The molecule is a nucleoside 3',5'-cyclic phosphate derived from formycin A. It is a nucleoside 3',5'-cyclic phosphate, a ribonucleotide, a C-glycosyl compound and a pyrazolopyrimidine. It derives from a formycin A.

SMILES: Nc1ncnc2c([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)[nH]nc12

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

InChI: InChI=1S/C10H12N5O6P/c11-10-6-4(12-2-13-10)5(14-15-6)9-7(16)8-3(20-9)1-19-22(17,18)21-8/h2-3,7-9,16H,1H2,(H,14,15)(H,17,18)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: -2.9