1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:44 UTC FDB011263 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione Isolated from leaves of spinach Spinacia oleracea. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables and spinach. 6-Hydroxymethyllumazine, 8CI C7H6N4O3 194.1475 194.043990078 6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione 6-(hydroxymethyl)-3,8-dihydropteridine-2,4-dione 10129-99-4 OCC1=CNC2=NC(=O)NC(=O)C2=N1 InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14) SQXCACKAQINDFU-UHFFFAOYSA-N belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Pteridines and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Aromatic heteropolycyclic compounds Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Pyrazines Pyrimidones Ureas Vinylogous amides Alcohol Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pteridine Pyrazine Pyrimidine Pyrimidone Urea Vinylogous amide logp -1.92 ALOGPS logs -1.91 ALOGPS solubility 2.39e+00 g/l ALOGPS melting_point Mp 260-262° dec. logp -1.7 ChemAxon pka_strongest_acidic 6.81 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione ChemAxon average_mass 194.1475 ChemAxon mono_mass 194.043990078 ChemAxon smiles OCC1=CNC2=NC(=O)NC(=O)C2=N1 ChemAxon formula C7H6N4O3 ChemAxon inchi InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14) ChemAxon inchikey SQXCACKAQINDFU-UHFFFAOYSA-N ChemAxon polar_surface_area 103.15 ChemAxon refractivity 45.25 ChemAxon polarizability 17.02 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 119098 Specdb::NmrOneD 119099 Specdb::NmrOneD 119100 Specdb::NmrOneD 119101 Specdb::NmrOneD 119102 Specdb::NmrOneD 119103 Specdb::NmrOneD 119104 Specdb::NmrOneD 119105 Specdb::NmrOneD 119106 Specdb::NmrOneD 119107 Specdb::NmrOneD 119108 Specdb::NmrOneD 119109 Specdb::NmrOneD 119110 Specdb::NmrOneD 119111 Specdb::NmrOneD 119112 Specdb::NmrOneD 119113 Specdb::NmrOneD 119114 Specdb::NmrOneD 119115 Specdb::NmrOneD 119116 Specdb::NmrOneD 119117 Specdb::CMs 13946 Specdb::CMs 43170 Specdb::CMs 151350 Specdb::MsIr 6048 Specdb::MsIr 6049 Specdb::MsIr 6050 Specdb::MsMs 56439 Specdb::MsMs 56440 Specdb::MsMs 56441 Specdb::MsMs 111855 Specdb::MsMs 111856 Specdb::MsMs 111857 Specdb::MsMs 2729047 Specdb::MsMs 2729048 Specdb::MsMs 2729049 Specdb::MsMs 2979797 Specdb::MsMs 2979798 Specdb::MsMs 2979799 HMDB33245 #<Reference:0x000055ce321a1250> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562