{"pubchem_id": 45273775, "iupac_name": "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-azidoethoxy(hydroxy)phosphoryl] hydrogen phosphate", "common_name": "CHEMBL564435", "smile": "C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCN=[N+]=[N-])O)O", "molecular_weight": 576.248, "hbd_count": 6, "hba_count": 19, "num_rotatablebonds": 12, "complexity": 973.0, "topological_polor_surfacearea": 283.0, "monoisotopic_mass": 576.028, "exact_mass": 576.028, "xlogp": "-4.3", "charge": 0, "heavy_atom_count": 36, "atom_stereo_count": 4, "defined_atom_stereocenter_count": 4, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": null, "fema_number": null, "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "hydroxy compound@alcohol@secondary alcohol@1,2-diol@amine@primary amine@primary aromatic amine@azide@phosphoric acid derivative@phosphoric acid ester@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C12H19N8O13P3/c13-10-7-11(16-4-15-10)20(5-17-7)12-9(22)8(21)6(31-12)3-30-35(25,26)33-36(27,28)32-34(23,24)29-2-1-18-19-14/h4-6,8-9,12,21-22H,1-3H2,(H,23,24)(H,25,26)(H,27,28)(H2,13,15,16)/t6-,8-,9-,12-/m1/s1", "volume3d": "372.4", "fooddb_flavor_profile": null, "super_sweet": "Sweet-like", "bitter": 0, "supersweetdb_id": "30941", "bitterdb_id": null, "fooddb_id": null, "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 0, "unknown_natural": 0, "synthetic": 1, "flavor_profile": "sweet-like"}