Molecule ID: 23421172

IUPAC Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one

Description: The molecule is a 2',3'-cyclic nucleotide(1-) which is obtained from 2',3'-cyclic CMP by removal of a proton from the cyclic phosphate group. It is a conjugate base of a 2',3'-cyclic CMP.

SMILES: N=c1ccn([C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c([O-])n1

SELFIES: [N][=C][C][=C][N][Branch2][Ring1][#Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Ring1][#Branch1][Ring1][N][C][Branch1][C][O-1][=N][Ring2][Ring1][Ring1]

InChI: InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/p-1/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -3.4