Molecule ID: 91666340

IUPAC Name: 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5H-imidazo[2,1-b]purin-4-one

Description: The molecule is a nucleoside 3',5'-cyclic monophosphate analogue having imidazo[2,1-b]purin-4-one as the modified nucleobase. It is a nucleoside monophosphate analogue and an imidazopurine. It derives from a 3',5'-cyclic GMP.

SMILES: O=c1[nH]c2nccn2c2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

SELFIES: [O][=C][NH1][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][=Branch2][N][=C][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/C12H12N5O7P/c18-7-8-5(3-22-25(20,21)24-8)23-11(7)17-4-14-6-9(19)15-12-13-1-2-16(12)10(6)17/h1-2,4-5,7-8,11,18H,3H2,(H,20,21)(H,13,15,19)/t5-,7-,8-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -2.6