1.0 2016-09-30 23:07:00 UTC 2020-04-22 15:13:02 UTC BMDB0003950 BMDB03950 7-Methylinosine 7-Methylinosine C11H15N4O5 283.2606 283.10424461 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9λ⁵-purin-9-ylium 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-3H-9λ⁵-purin-9-ylium 20245-33-4 CN1C=[N+](C2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2 InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11?/m1/s1 VJNXUFOTKNTNPG-YNJARDAQSA-O 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-oxopurines Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines N-substituted imidazoles Organic cations Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Pyrimidones Secondary alcohols Tetrahydrofurans Vinylogous amides 6-oxopurine Alcohol Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine Monosaccharide N-glycosyl compound N-substituted imidazole Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Purine Purine nucleoside Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -1.45 ALOGPS logs -1.84 ALOGPS logp -6 ChemAxon pka_strongest_acidic 7.12 ChemAxon pka_strongest_basic -3 ChemAxon iupac 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9λ⁵-purin-9-ylium ChemAxon average_mass 283.2606 ChemAxon mono_mass 283.10424461 ChemAxon smiles CN1C=[N+](C2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2 ChemAxon formula C11H15N4O5 ChemAxon inchi InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11?/m1/s1 ChemAxon inchikey VJNXUFOTKNTNPG-YNJARDAQSA-O ChemAxon polar_surface_area 120.19 ChemAxon refractivity 66.09 ChemAxon polarizability 27.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 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 288082 Specdb::MsMs 288083 Specdb::MsMs 288084 Specdb::MsMs 2310558 Specdb::MsMs 2310559 Specdb::MsMs 2310560 Specdb::CMs 9990 Specdb::CMs 38675 Specdb::CMs 158112 Specdb::NmrOneD 35182 Specdb::NmrOneD 35183 Specdb::NmrOneD 35184 Specdb::NmrOneD 35185 Specdb::NmrOneD 35186 Specdb::NmrOneD 35187 Specdb::NmrOneD 35188 Specdb::NmrOneD 35189 Specdb::NmrOneD 35190 Specdb::NmrOneD 35191 Specdb::NmrOneD 35192 Specdb::NmrOneD 35193 Specdb::NmrOneD 35194 Specdb::NmrOneD 35195 Specdb::NmrOneD 35196 Specdb::NmrOneD 35197 Specdb::NmrOneD 35198 Specdb::NmrOneD 35199 Specdb::NmrOneD 35200 Specdb::NmrOneD 35201 C05276 4444335 135616717 FDB023269 177720