1.0 2010-04-08 22:04:52 UTC 2020-02-24 19:10:20 UTC FDB001177 beta-D-3-Ribofuranosyluric acid Isolated from beef blood. beta-D-3-Ribofuranosyluric acid is found in animal foods. 3-(beta-D-ribofuranosyl)uric acid 3-Ribosyluric acid Urate-3-ribonucleoside Uric acid ribonucleoside Uric acid riboside C10H12N4O7 300.2249 300.070598758 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dihydroxy-3,9-dihydro-2H-purin-2-one 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dihydroxy-9H-purin-2-one 2124-54-1 OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20) MFGPUMDDJCTHOI-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Xanthines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds Alkaloids and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Purinones Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Alkaloid or derivatives Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidazole Monosaccharide N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Purinone Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Xanthine logp -1.63 ALOGPS logs -0.91 ALOGPS solubility 3.72e+01 g/l ALOGPS melting_point Mp 220° dec. logp -2.1 ChemAxon pka_strongest_acidic 6.88 ChemAxon pka_strongest_basic 0.63 ChemAxon iupac 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dihydroxy-3,9-dihydro-2H-purin-2-one ChemAxon average_mass 300.2249 ChemAxon mono_mass 300.070598758 ChemAxon smiles OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O ChemAxon formula C10H12N4O7 ChemAxon inchi InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20) ChemAxon inchikey MFGPUMDDJCTHOI-UHFFFAOYSA-N ChemAxon polar_surface_area 171.73 ChemAxon refractivity 62.2 ChemAxon polarizability 26.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24289 Specdb::CMs 41639 Specdb::CMs 132013 Specdb::CMs 139747 Specdb::MsMs 105546 Specdb::MsMs 105547 Specdb::MsMs 105548 Specdb::MsMs 172062 Specdb::MsMs 172063 Specdb::MsMs 172064 Specdb::MsMs 2660320 Specdb::MsMs 2660321 Specdb::MsMs 2660322 Specdb::MsMs 3018348 Specdb::MsMs 3018349 Specdb::MsMs 3018350 Specdb::NmrOneD 159990 Specdb::NmrOneD 159991 Specdb::NmrOneD 159992 Specdb::NmrOneD 159993 Specdb::NmrOneD 159994 Specdb::NmrOneD 159995 Specdb::NmrOneD 159996 Specdb::NmrOneD 159997 Specdb::NmrOneD 159998 Specdb::NmrOneD 159999 Specdb::NmrOneD 160000 Specdb::NmrOneD 160001 Specdb::NmrOneD 160002 Specdb::NmrOneD 160003 Specdb::NmrOneD 160004 Specdb::NmrOneD 160005 Specdb::NmrOneD 160006 Specdb::NmrOneD 160007 Specdb::NmrOneD 160008 Specdb::NmrOneD 160009 HMDB29920 50547 #<Reference:0x000055ce3216f598>