1.0 2016-09-30 23:19:39 UTC 2020-04-22 15:16:41 UTC BMDB0006023 BMDB06023 3'-O-Methyladenosine 3'-O-Methyl-adenosine 3'-O-Methyladenosine 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. 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 -0.86 ALOGPS logs -1.45 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 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 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 Specdb::CMs 20915 Specdb::CMs 38935 Specdb::CMs 166466 FDB023803 74481 82530 Tong, George L.; Lee, William Wei; Goodman, Leon. Synthesis of some 3'-O-methylpurine ribonucleosides. Journal of Organic Chemistry (1967), 32(6), 1984-6.