1.0 2011-09-21 00:34:56 UTC 2015-07-21 06:57:52 UTC FDB023803 3'-O-Methyladenosine 3-O-Methyladenosine is a methylated adenine residue. [HMDB] 3'-O-methyl-Adenosine C11H15N5O4 281.2679 281.112403993 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxyoxolan-3-ol 3'-O-methyladenosine 10300-22-8 CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 RYAFZRROCNNRFK-IOSLPCCCSA-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 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Dialkyl ethers Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monosaccharides N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Dialkyl ether Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Purine Purine nucleoside Pyrimidine Secondary alcohol Tetrahydrofuran Solid logp -0.86 ALOGPS logs -1.45 ALOGPS solubility 9.99e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 12.59 ChemAxon pka_strongest_basic 4.99 ChemAxon iupac (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxyoxolan-3-ol ChemAxon average_mass 281.2679 ChemAxon mono_mass 281.112403993 ChemAxon smiles CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N ChemAxon formula C11H15N5O4 ChemAxon inchi InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 ChemAxon inchikey RYAFZRROCNNRFK-IOSLPCCCSA-N ChemAxon polar_surface_area 128.54 ChemAxon refractivity 67.95 ChemAxon polarizability 27.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20915 Specdb::CMs 38935 Specdb::CMs 166466 Specdb::MsMs 312550 Specdb::MsMs 312551 Specdb::MsMs 312552 Specdb::MsMs 357832 Specdb::MsMs 357833 Specdb::MsMs 357834 Specdb::MsMs 2457953 Specdb::MsMs 2457954 Specdb::MsMs 2457955 Specdb::MsMs 2480857 Specdb::MsMs 2480858 Specdb::MsMs 2480859 Specdb::NmrOneD 61432 Specdb::NmrOneD 61433 Specdb::NmrOneD 61434 Specdb::NmrOneD 61435 Specdb::NmrOneD 61436 Specdb::NmrOneD 61437 Specdb::NmrOneD 61438 Specdb::NmrOneD 61439 Specdb::NmrOneD 61440 Specdb::NmrOneD 61441 Specdb::NmrOneD 61442 Specdb::NmrOneD 61443 Specdb::NmrOneD 61444 Specdb::NmrOneD 61445 Specdb::NmrOneD 61446 Specdb::NmrOneD 61447 Specdb::NmrOneD 61448 Specdb::NmrOneD 61449 Specdb::NmrOneD 61450 Specdb::NmrOneD 61451 HMDB06023 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823