Molecule ID: 14258195

IUPAC Name: (4aR,6R,7R,7aS)-2-hydroxy-2-oxo-6-purin-9-yl-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 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is replaced by hydrogen It is a 3',5'-cyclic purine nucleotide and a nucleoside 3',5'-cyclic phosphate.

SMILES: O=P1(O)OC[C@H]2O[C@@H](n3cnc4cncnc43)[C@H](O)[C@@H]2O1

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

InChI: InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -2.2