1.0 2011-04-06 22:50:29 UTC 2018-05-28 20:05:15 UTC FDB021785 N6-Carbamoyl-L-threonyladenosine Minor constituant found in human, bovine, and goat milk N6-carbamoylthreonyladenosine N6-threonylcarbamoyladenosine T6a t6A [ABBR] C15H20N6O8 412.3547 412.134261646 (2S,3R)-2-(N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-(C-hydroxycarbonimidoyl)amino)-3-hydroxybutanoic acid (2S,3R)-2-(N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}-(C-hydroxycarbonimidoyl)amino)-3-hydroxybutanoic acid 89019-62-5 C[C@@H](O)[C@H](NC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1 UNUYMBPXEFMLNW-DWVDDHQFSA-N belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Purine nucleosides Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Aromatic heteropolycyclic compounds Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monocarboxylic acids and derivatives Monosaccharides N-carbamoyl-alpha amino acids N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Purines and purine derivatives Pyrimidines and pyrimidine derivatives Secondary alcohols Sugar acids and derivatives Tetrahydrofurans Ureas Alcohol Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azole Beta-hydroxy acid Carbonic acid derivative Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Imidazole Imidazopyrimidine Imidolactam Monocarboxylic acid or derivatives Monosaccharide N-carbamoyl-alpha-amino acid N-carbamoyl-alpha-amino acid or derivatives N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Purine Purine nucleoside Pyrimidine Secondary alcohol Sugar acid Tetrahydrofuran Urea L-threonine derivative N-(adenosin-N(6)-ylcarbonyl)threonine logp -1.97 ALOGPS logs -1.82 ALOGPS solubility 6.22e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 3.23 ChemAxon pka_strongest_basic 1.25 ChemAxon iupac (2S,3R)-2-(N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-(C-hydroxycarbonimidoyl)amino)-3-hydroxybutanoic acid ChemAxon average_mass 412.3547 ChemAxon mono_mass 412.134261646 ChemAxon smiles C[C@@H](O)[C@H](NC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O ChemAxon formula C15H20N6O8 ChemAxon inchi InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1 ChemAxon inchikey UNUYMBPXEFMLNW-DWVDDHQFSA-N ChemAxon polar_surface_area 215.67 ChemAxon refractivity 93.99 ChemAxon polarizability 38.76 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25820 Specdb::CMs 47415 Specdb::MsMs 323242 Specdb::MsMs 323243 Specdb::MsMs 323244 Specdb::MsMs 371353 Specdb::MsMs 371354 Specdb::MsMs 371355 HMDB41623 #<Reference:0x000055ce3171cf00>