1.0 2010-04-08 22:13:30 UTC 2017-04-03 22:04:30 UTC FDB018101 Deoxyfructosazine Formed by reaction of ammonia and glucose. Present in ammonia caramels, soy sauce and roasted peanuts 2-(1,2,3,4-Tetrahydroxybutyl)-5-(2,3,4-trihydroxybutyl)pyrazine 2-(1,2,3,4-Tetrahydroxybutyl)-5-(2,3,4-trihydroxybutyl)pyrazine; D-arabino-D-erythro-form D-arabino-D-erythro-Form Deoxyfructosazine C12H20N2O7 304.2964 304.127051004 1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 95-01-2 OCC(O)C(O)CC1=CN=C(C=N1)C(O)C(O)C(O)CO InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2 FBDICDJCXVZLIP-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 -2.00 ALOGPS logs -1.13 ALOGPS solubility 2.24e+01 g/l ALOGPS melting_point Mp 161-162° (157-158°) logp -4.6 ChemAxon pka_strongest_acidic 12.29 ChemAxon pka_strongest_basic 0.42 ChemAxon iupac 1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol ChemAxon average_mass 304.2964 ChemAxon mono_mass 304.127051004 ChemAxon smiles OCC(O)C(O)CC1=CN=C(C=N1)C(O)C(O)C(O)CO ChemAxon formula C12H20N2O7 ChemAxon inchi InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2 ChemAxon inchikey FBDICDJCXVZLIP-UHFFFAOYSA-N ChemAxon polar_surface_area 167.39 ChemAxon refractivity 68.92 ChemAxon polarizability 30.05 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23481 Specdb::CMs 45987 Specdb::CMs 175010 Specdb::NmrOneD 28702 Specdb::NmrOneD 28703 Specdb::NmrOneD 28704 Specdb::NmrOneD 28705 Specdb::NmrOneD 28706 Specdb::NmrOneD 28707 Specdb::NmrOneD 28708 Specdb::NmrOneD 28709 Specdb::NmrOneD 28710 Specdb::NmrOneD 28711 Specdb::NmrOneD 28712 Specdb::NmrOneD 28713 Specdb::NmrOneD 28714 Specdb::NmrOneD 28715 Specdb::NmrOneD 28716 Specdb::NmrOneD 28717 Specdb::NmrOneD 28718 Specdb::NmrOneD 28719 Specdb::NmrOneD 28720 Specdb::NmrOneD 28721 Specdb::MsMs 65907 Specdb::MsMs 65908 Specdb::MsMs 65909 Specdb::MsMs 123357 Specdb::MsMs 123358 Specdb::MsMs 123359 Specdb::MsMs 2808194 Specdb::MsMs 2808195 Specdb::MsMs 2808196 Specdb::MsMs 2897979 Specdb::MsMs 2897980 Specdb::MsMs 2897981 HMDB38696 #<Reference:0x000055ce3274ba98>