Molecule ID: 44755006

IUPAC Name: (4aR,6R,7R,7aS)-6-(2-aminopurin-9-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 3',5'-cyclic purine nucleotide having 2-aminopurine as the nucleobase. It is a 3',5'-cyclic purine nucleotide, a nucleoside 3',5'-cyclic phosphate and a primary amino compound. It derives from a 2-aminopurine.

SMILES: N=c1nc2c(c[nH]1)ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

SELFIES: [N][=C][N][=C][C][=Branch1][Branch1][=C][NH1][Ring1][=Branch1][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/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -2.6