1.0 2010-04-08 22:10:59 UTC 2015-07-20 23:03:53 UTC FDB013946 D-Fructosazine Present in ammonia caramels and soy sauce 2,5-Bis(1,2,3,4-tetrahydroxybutyl)pyrazine 2,5-Bis(1,2,3,4-tetrahydroxybutyl)pyrazine; D-arabino-form D-arabino-Form D-Fructosazine Fructosazine C12H20N2O8 320.2958 320.121965626 1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 13185-73-4 OCC(O)C(O)C(O)C1=CN=C(C=N1)C(O)C(O)C(O)CO InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2 NPWQIVOYGNUVEB-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Secondary alcohols Sugar alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Pyrazine Secondary alcohol Sugar alcohol logp -2.19 ALOGPS logs -1.04 ALOGPS solubility 2.93e+01 g/l ALOGPS melting_point Mp 237° logp -5.3 ChemAxon pka_strongest_acidic 12.01 ChemAxon pka_strongest_basic -0.16 ChemAxon iupac 1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol ChemAxon average_mass 320.2958 ChemAxon mono_mass 320.121965626 ChemAxon smiles OCC(O)C(O)C(O)C1=CN=C(C=N1)C(O)C(O)C(O)CO ChemAxon formula C12H20N2O8 ChemAxon inchi InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2 ChemAxon inchikey NPWQIVOYGNUVEB-UHFFFAOYSA-N ChemAxon polar_surface_area 187.62 ChemAxon refractivity 70.26 ChemAxon polarizability 30.87 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11359 Specdb::CMs 44301 Specdb::CMs 147893 Specdb::MsMs 48636 Specdb::MsMs 48637 Specdb::MsMs 48638 Specdb::MsMs 155862 Specdb::MsMs 155863 Specdb::MsMs 155864 Specdb::MsMs 2798396 Specdb::MsMs 2798397 Specdb::MsMs 2798398 Specdb::MsMs 2883203 Specdb::MsMs 2883204 Specdb::MsMs 2883205 Specdb::NmrOneD 130798 Specdb::NmrOneD 130799 Specdb::NmrOneD 130800 Specdb::NmrOneD 130801 Specdb::NmrOneD 130802 Specdb::NmrOneD 130803 Specdb::NmrOneD 130804 Specdb::NmrOneD 130805 Specdb::NmrOneD 130806 Specdb::NmrOneD 130807 Specdb::NmrOneD 130808 Specdb::NmrOneD 130809 Specdb::NmrOneD 130810 Specdb::NmrOneD 130811 Specdb::NmrOneD 130812 Specdb::NmrOneD 130813 Specdb::NmrOneD 130814 Specdb::NmrOneD 130815 Specdb::NmrOneD 130816 Specdb::NmrOneD 130817 HMDB35284 #<Reference:0x000055ce325ecb98>