Molecule ID: 14803267

IUPAC Name: (4aR,6R,7R,7aS)-6-[6-(dimethylamino)purin-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 that is 3',5'-cyclic AMP in which the exocylic amino hydrogens on the purine fragment are replaced by methyl groups. It is a 3',5'-cyclic purine nucleotide, a nucleoside 3',5'-cyclic phosphate and a tertiary amino compound. It derives from a hydride of a 3',5'-cyclic AMP.

SMILES: CN(C)c1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

SELFIES: [C][N][Branch1][C][C][C][=N][C][=N][C][=C][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/C12H16N5O6P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-8(18)9-6(22-12)3-21-24(19,20)23-9/h4-6,8-9,12,18H,3H2,1-2H3,(H,19,20)/t6-,8-,9-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.8