1.0 2016-10-03 18:21:43 UTC 2020-04-22 15:45:36 UTC BMDB0011615 BMDB11615 8-Oxo-dGTP ({[({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonate C10H16N5O14P3 523.18 522.990661209 ({[({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid [H][C@]1(O)C[C@]([H])(OC1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5-/m0/s1 BUZOGVVQWCXXDP-DSDZBIDZSA-N belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine deoxyribonucleotides Purine 2'-deoxyribonucleoside triphosphates Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Monoalkyl phosphates N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Purines and purine derivatives Secondary alcohols Tetrahydrofurans Alcohol Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidazole Imidazopyrimidine Monoalkyl phosphate N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Purine Purine 2'-deoxyribonucleoside triphosphate Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds Solid logp -0.77 ALOGPS logs -1.79 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 0.9 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac ({[({[(3S,5S)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon average_mass 523.18 ChemAxon mono_mass 522.990661209 ChemAxon smiles [H][C@]1(O)C[C@]([H])(OC1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O ChemAxon formula C10H16N5O14P3 ChemAxon inchi InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4?,5-/m0/s1 ChemAxon inchikey BUZOGVVQWCXXDP-DSDZBIDZSA-N ChemAxon polar_surface_area 295.8 ChemAxon refractivity 107.76 ChemAxon polarizability 39.86 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1282525 Specdb::MsMs 1282526 Specdb::MsMs 1282527 Specdb::MsMs 1397377 Specdb::MsMs 1397378 Specdb::MsMs 1397379