1.0 2016-09-30 22:49:33 UTC 2020-04-22 15:09:16 UTC BMDB0001983 BMDB01983 5'-Deoxyadenosine 5'-Deoxy-adenosine 5'-DAdo nucleoside C10H13N5O3 251.2419 251.101839307 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol 5'-deoxyadenosine 4754-39-6 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 XGYIMTFOTBMPFP-KQYNXXCUSA-N belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Organic compounds Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides 5'-deoxyribonucleosides 1,2-diols 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Primary amines Secondary alcohols Tetrahydrofurans 1,2-diol 5'-deoxyribonucleoside 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Purine Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds 5'-deoxyribonucleoside adenosines Solid melting_point 213.0 - 214.5 °C logp -0.52 ALOGPS logs -1.41 ALOGPS logp -1 ChemAxon pka_strongest_acidic 12.48 ChemAxon pka_strongest_basic 3.92 ChemAxon iupac (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol ChemAxon average_mass 251.2419 ChemAxon mono_mass 251.101839307 ChemAxon smiles C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 ChemAxon formula C10H13N5O3 ChemAxon inchi InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 ChemAxon inchikey XGYIMTFOTBMPFP-KQYNXXCUSA-N ChemAxon polar_surface_area 119.31 ChemAxon refractivity 61.65 ChemAxon polarizability 24.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2875 Specdb::CMs 38211 Specdb::CMs 136238 Specdb::CMs 143972 Specdb::NmrOneD 102918 Specdb::NmrOneD 102919 Specdb::NmrOneD 102920 Specdb::NmrOneD 102921 Specdb::NmrOneD 102922 Specdb::NmrOneD 102923 Specdb::NmrOneD 102924 Specdb::NmrOneD 102925 Specdb::NmrOneD 102926 Specdb::NmrOneD 102927 Specdb::NmrOneD 102928 Specdb::NmrOneD 102929 Specdb::NmrOneD 102930 Specdb::NmrOneD 102931 Specdb::NmrOneD 102932 Specdb::NmrOneD 102933 Specdb::NmrOneD 102934 Specdb::NmrOneD 102935 Specdb::NmrOneD 102936 Specdb::NmrOneD 102937 Specdb::MsMs 27500 Specdb::MsMs 27501 Specdb::MsMs 27502 Specdb::MsMs 34058 Specdb::MsMs 34059 Specdb::MsMs 34060 Specdb::MsMs 440104 Specdb::MsMs 446043 Specdb::MsMs 446044 Specdb::MsMs 446045 Specdb::MsMs 446046 Specdb::MsMs 446047 Specdb::MsMs 447224 Specdb::MsMs 451939 Specdb::MsMs 2226830 Specdb::MsMs 2227907 Specdb::MsMs 2229146 Specdb::MsMs 2230291 Specdb::MsMs 2231612 Specdb::MsMs 2232601 Specdb::MsMs 2234026 Specdb::MsMs 2234895 Specdb::MsMs 2244474 Specdb::MsMs 2245652 Specdb::MsMs 2246605 FDB022781 388325 439182 C05198 17319 CH33ADO 45324 Lerner, Leon M. An improved preparation of 5'-deoxyadenosine by coupling methods. Carbohydrate Research (1988), 184 250-3. BMDBP00396 Lipoyl synthase, mitochondrial Q5BIP7 LIAS Enzyme