1.0 2010-04-08 22:13:21 UTC 2019-11-26 03:15:21 UTC FDB017862 Bifurcose Isolated from barley (Hordeum vulgare) and Panicum miliaceum (proso millet). Bifurcose is found in barley and cereals and cereal products. 1-b-D-Fructofuranosyl(2->1)-[b-D-fructofuranosyl(2->6)]-b-D-fructofuranosyl a-D-glucopyranoside 1,6-Kestotetraose C24H42O21 666.5777 666.221858406 2-{[2,5-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2,5-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 3568-31-8 OCC1OC(CO)(OCC2OC(COC3(CO)OC(CO)C(O)C3O)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2 MMYFQTWHKPSUDE-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds C-glycosyl compounds Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran a graminan logp -2.98 ALOGPS logs -0.02 ALOGPS solubility 6.34e+02 g/l ALOGPS melting_point Mp 156° logp -7.7 ChemAxon pka_strongest_acidic 11.54 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[2,5-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 666.5777 ChemAxon mono_mass 666.221858406 ChemAxon smiles OCC1OC(CO)(OCC2OC(COC3(CO)OC(CO)C(O)C3O)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O ChemAxon formula C24H42O21 ChemAxon inchi InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2 ChemAxon inchikey MMYFQTWHKPSUDE-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 134.48 ChemAxon polarizability 61.02 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26629 Specdb::CMs 689066 Specdb::CMs 689067 Specdb::CMs 689068 Specdb::CMs 689069 Specdb::CMs 689070 Specdb::CMs 689071 Specdb::CMs 689072 Specdb::CMs 689073 Specdb::CMs 689074 Specdb::CMs 689075 Specdb::CMs 689076 Specdb::CMs 689077 Specdb::CMs 689078 Specdb::CMs 689079 Specdb::CMs 689080 Specdb::CMs 689081 Specdb::CMs 689082 Specdb::CMs 689083 Specdb::CMs 689084 Specdb::CMs 689085 Specdb::CMs 689086 Specdb::CMs 689087 Specdb::CMs 689088 Specdb::CMs 689089 Specdb::MsMs 105372 Specdb::MsMs 105373 Specdb::MsMs 105374 Specdb::MsMs 171849 Specdb::MsMs 171850 Specdb::MsMs 171851 Specdb::MsMs 2667304 Specdb::MsMs 2667305 Specdb::MsMs 2667306 Specdb::MsMs 3011999 Specdb::MsMs 3012000 Specdb::MsMs 3012001 Specdb::NmrOneD 26982 Specdb::NmrOneD 26983 Specdb::NmrOneD 26984 Specdb::NmrOneD 26985 Specdb::NmrOneD 26986 Specdb::NmrOneD 26987 Specdb::NmrOneD 26988 Specdb::NmrOneD 26989 Specdb::NmrOneD 26990 Specdb::NmrOneD 26991 Specdb::NmrOneD 26992 Specdb::NmrOneD 26993 Specdb::NmrOneD 26994 Specdb::NmrOneD 26995 Specdb::NmrOneD 26996 Specdb::NmrOneD 26997 Specdb::NmrOneD 26998 Specdb::NmrOneD 26999 Specdb::NmrOneD 27000 Specdb::NmrOneD 27001 HMDB38490 #<Reference:0x000055ce3243f0c0> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic