1.0 2026-09-21 20:02:43 UTC 2026-09-21 20:02:43 UTC FDB117016 SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate C19H25N7O14P2Se 716.35 717.009993395 2-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1,3-selenazole-4-carboximidic acid 2-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1,3-selenazole-4-carboximidic acid [H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(C3=NC(=C[Se]3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1 SKNBJMQZTZPCPF-QZTLEVGFSA-N belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. Benzamides Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1,2-diols Alkyl aryl ethers Azacyclic compounds Benzoyl derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Sulfuric acid diamides 1,2-diol Alcohol Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Benzamide Benzoyl Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary carboxylic acid amide Sulfuric acid diamide benzamides sulfuric amide sultam thiadiazepane logp -1.60 ALOGPS logs -2.00 ALOGPS solubility 7.19e+00 g/l ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic 5.05 ChemAxon iupac 2-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1,3-selenazole-4-carboximidic acid ChemAxon average_mass 716.35 ChemAxon mono_mass 717.009993395 ChemAxon smiles [H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(C3=NC(=C[Se]3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O ChemAxon formula C19H25N7O14P2Se ChemAxon inchi InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1 ChemAxon inchikey SKNBJMQZTZPCPF-QZTLEVGFSA-N ChemAxon polar_surface_area 328.26 ChemAxon refractivity 155.99 ChemAxon polarizability 55.88 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 18 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 251253 Specdb::MsMs 251254 Specdb::MsMs 251255 Specdb::MsMs 271194 Specdb::MsMs 271195 Specdb::MsMs 271196