{"PropertyTable":{"Properties":[{"CID":5957,"MolecularFormula":"C10H16N5O13P3","MolecularWeight":"507.18","SMILES":"C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","ConnectivitySMILES":"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","InChI":"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","InChIKey":"ZKHQWZAMYRWXGA-KQYNXXCUSA-N","ExactMass":"506.99574658","MonoisotopicMass":"506.99574658","TPSA":279,"Charge":0,"HBondDonorCount":7,"HBondAcceptorCount":17,"RotatableBondCount":8,"HeavyAtomCount":31,"Title":"5'-Atp"}]}}