Molecule ID: 91666334

IUPAC Name: (4aR,6R,7R,7aS)-6-(4-aminopyrazolo[3,4-d]pyrimidin-1-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 that is cAMP in which the aza methine (C-H) group at positions 7 and 8 on the purine fragment are transposed. It is a nucleoside 3',5'-cyclic phosphate and a pyrazolopyrimidine.

SMILES: Nc1ncnc2c1cnn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][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]

InChI: InChI=1S/C10H12N5O6P/c11-8-4-1-14-15(9(4)13-3-12-8)10-6(16)7-5(20-10)2-19-22(17,18)21-7/h1,3,5-7,10,16H,2H2,(H,17,18)(H2,11,12,13)/t5-,6-,7-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -2.4