1.0 2016-09-30 22:50:12 UTC 2020-04-22 15:09:28 UTC BMDB0002032 BMDB02032 8-Hydroxyguanine 8-Oxoguanine 1H-Purine-6,8-dione, 2-amino-7,9-dihydro-1H-purine-6,8-dione 2-amino-6,8-Dihydroxypurine 2-amino-7,9-dihydro-1H-Purine-6,8-dione 2-amino-Purine-6,8-diol 2-Aminopurine-6,8-diol 7,8-dihydro-8-Oxoguanine oxo-8-Gua 8-oxo-7,8-Dihydroguanine 8-Hydroxyguanine C5H5N5O2 167.1255 167.044324429 2-amino-6,7,8,9-tetrahydro-1H-purine-6,8-dione 8-hydroxyguanine 5614-64-2 NC1=NC2=C(NC(=O)N2)C(=O)N1 InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) CLGFIVUFZRGQRP-UHFFFAOYSA-N belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Purines and purine derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Imidazoles Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidazole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Purine Pyrimidine Aromatic heteropolycyclic compounds an aromatic compound oxopurine Solid logp -1.57 ALOGPS logs -1.93 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 7.35 ChemAxon pka_strongest_basic 3.95 ChemAxon iupac 2-amino-6,7,8,9-tetrahydro-1H-purine-6,8-dione ChemAxon average_mass 167.1255 ChemAxon mono_mass 167.044324429 ChemAxon smiles NC1=NC2=C(NC(=O)N2)C(=O)N1 ChemAxon formula C5H5N5O2 ChemAxon inchi InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) ChemAxon inchikey CLGFIVUFZRGQRP-UHFFFAOYSA-N ChemAxon polar_surface_area 108.61 ChemAxon refractivity 47.81 ChemAxon polarizability 14.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 327182 Specdb::NmrOneD 327183 Specdb::NmrOneD 327184 Specdb::NmrOneD 327185 Specdb::NmrOneD 327186 Specdb::NmrOneD 327187 Specdb::NmrOneD 327188 Specdb::NmrOneD 327189 Specdb::NmrOneD 327190 Specdb::NmrOneD 327191 Specdb::MsIr 1550 Specdb::MsIr 1551 Specdb::MsIr 1552 Specdb::MsMs 309934 Specdb::MsMs 309935 Specdb::MsMs 309936 Specdb::MsMs 354496 Specdb::MsMs 354497 Specdb::MsMs 354498 Specdb::MsMs 2418016 Specdb::MsMs 2418017 Specdb::MsMs 2418018 Specdb::MsMs 2548231 Specdb::MsMs 2548232 Specdb::MsMs 2548233 Specdb::CMs 19742 Specdb::CMs 136158 Specdb::CMs 143892 FDB022809 C20155 58661 65154 52617 8-Oxoguanine Usacheva A M; Chernikov A V; Bruskov V I Formation of 8-hydroxyguanine upon damage of guanine nucleotides by gamma radiation. Molekuliarnaia biologiia (1995), 29(2), 446-51.