1.0 2016-09-30 23:09:13 UTC 2020-04-22 15:13:43 UTC BMDB0004326 BMDB04326 2'-O-Methyladenosine 2-O-Methyla-denosine 2-O-Methyladenosine C11H15N5O4 281.2679 281.112403993 5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol 2-O-methyladenosine 2140-79-6 COC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C12 InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)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) FPUGCISOLXNPPC-UHFFFAOYSA-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. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides 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 Aromatic heteropolycyclic compounds Solid logp -0.88 ALOGPS logs -1.47 ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 12.99 ChemAxon pka_strongest_basic 4.99 ChemAxon iupac 5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol ChemAxon average_mass 281.2679 ChemAxon mono_mass 281.112403993 ChemAxon smiles COC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C12 ChemAxon formula C11H15N5O4 ChemAxon inchi InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)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) ChemAxon inchikey FPUGCISOLXNPPC-UHFFFAOYSA-N ChemAxon polar_surface_area 128.54 ChemAxon refractivity 67.95 ChemAxon polarizability 27.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 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::MsMs 289624 Specdb::MsMs 289625 Specdb::MsMs 289626 Specdb::MsMs 329092 Specdb::MsMs 329093 Specdb::MsMs 329094 Specdb::MsMs 2361284 Specdb::MsMs 2361285 Specdb::MsMs 2361286 Specdb::MsMs 2601041 Specdb::MsMs 2601042 Specdb::MsMs 2601043 Specdb::NmrOneD 149860 Specdb::NmrOneD 149861 Specdb::NmrOneD 149862 Specdb::NmrOneD 149863 Specdb::NmrOneD 149864 Specdb::NmrOneD 149865 Specdb::NmrOneD 149866 Specdb::NmrOneD 149867 Specdb::NmrOneD 149868 Specdb::NmrOneD 149869 Specdb::NmrOneD 149870 Specdb::NmrOneD 149871 Specdb::NmrOneD 149872 Specdb::NmrOneD 149873 Specdb::NmrOneD 149874 Specdb::NmrOneD 149875 Specdb::NmrOneD 149876 Specdb::NmrOneD 149877 Specdb::NmrOneD 149878 Specdb::NmrOneD 149879 Specdb::CMs 10730 Specdb::CMs 38754 Specdb::CMs 130476 Specdb::CMs 138210 FDB023364 280913 317398 C04779 119928