1.0 2010-04-08 22:10:44 UTC 2019-11-26 03:08:29 UTC FDB013470 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is formed by reaction of ammonia on glucose. It is found in ammonia caramels, soy sauce, roasted peanuts and flue-cured tobacco leaves. 1-[6-(2,3,4-Trihydroxybutyl)pyrazinyl]-1,2,3,4-butanetetrol, 9CI C12H20N2O7 304.2964 304.127051004 1-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 1-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol 36806-15-2 OCC(O)C(O)CC1=NC(=CN=C1)C(O)C(O)C(O)CO InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2 MBHUNOHYVYVNIP-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 -2.02 ALOGPS logs -1.08 ALOGPS solubility 2.54e+01 g/l ALOGPS melting_point Mp 168.5-168.8° logp -4.6 ChemAxon pka_strongest_acidic 12.28 ChemAxon pka_strongest_basic 0.38 ChemAxon iupac 1-[6-(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=NC(=CN=C1)C(O)C(O)C(O)CO ChemAxon formula C12H20N2O7 ChemAxon inchi InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2 ChemAxon inchikey MBHUNOHYVYVNIP-UHFFFAOYSA-N ChemAxon polar_surface_area 167.39 ChemAxon refractivity 68.92 ChemAxon polarizability 29.51 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12265 Specdb::CMs 44075 Specdb::CMs 131702 Specdb::CMs 139436 Specdb::MsMs 57054 Specdb::MsMs 57055 Specdb::MsMs 57056 Specdb::MsMs 112623 Specdb::MsMs 112624 Specdb::MsMs 112625 Specdb::MsMs 2736527 Specdb::MsMs 2736528 Specdb::MsMs 2736529 Specdb::MsMs 2969250 Specdb::MsMs 2969251 Specdb::MsMs 2969252 Specdb::NmrOneD 128268 Specdb::NmrOneD 128269 Specdb::NmrOneD 128270 Specdb::NmrOneD 128271 Specdb::NmrOneD 128272 Specdb::NmrOneD 128273 Specdb::NmrOneD 128274 Specdb::NmrOneD 128275 Specdb::NmrOneD 128276 Specdb::NmrOneD 128277 Specdb::NmrOneD 128278 Specdb::NmrOneD 128279 Specdb::NmrOneD 128280 Specdb::NmrOneD 128281 Specdb::NmrOneD 128282 Specdb::NmrOneD 128283 Specdb::NmrOneD 128284 Specdb::NmrOneD 128285 Specdb::NmrOneD 128286 Specdb::NmrOneD 128287 HMDB34894 #<Reference:0x000055ce315e23d8> Nuts Unknown generic