Molecule ID: 136648278

IUPAC Name: 7-[(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]-2-amino-3H-pyrrolo[2,3-d]pyrimidin-4-one

Description: The molecule is a nucleoside 3',5'-cyclic phosphate that is cGMP in which the nitrogen atom at position 7 on the purine fragment is replaced by a methine (C-H) group It is a nucleoside 3',5'-cyclic phosphate, a ribonucleotide and a N-glycosylpyrrolopyrimidine. It derives from a tubercidin.

SMILES: N=c1nc(O)c2ccn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][C][=C][N][Branch2][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][C][=Ring1][P][NH1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C11H13N4O7P/c12-11-13-8-4(9(17)14-11)1-2-15(8)10-6(16)7-5(21-10)3-20-23(18,19)22-7/h1-2,5-7,10,16H,3H2,(H,18,19)(H3,12,13,14,17)/t5-,6-,7-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -3.1