1.0 2010-04-08 22:13:38 UTC 2019-11-26 03:16:00 UTC FDB018314 Neobifurcose Isolated from cereals. Neobifurcose is found in cereals and cereal products. C24H42O21 666.5777 666.221858406 5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol 5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O InChI=1S/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2 CPXARACTRWZBPQ-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 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 Primary alcohol Secondary alcohol Tetrahydrofuran logp -2.93 ALOGPS logs 0.09 ALOGPS solubility 8.26e+02 g/l ALOGPS logp -7.7 ChemAxon pka_strongest_acidic 11.6 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol ChemAxon average_mass 666.5777 ChemAxon mono_mass 666.221858406 ChemAxon smiles OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O ChemAxon formula C24H42O21 ChemAxon inchi InChI=1S/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2 ChemAxon inchikey CPXARACTRWZBPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 134.48 ChemAxon polarizability 61.47 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70893 Specdb::MsMs 70894 Specdb::MsMs 70895 Specdb::MsMs 129459 Specdb::MsMs 129460 Specdb::MsMs 129461 Specdb::MsMs 2456397 Specdb::MsMs 2456398 Specdb::MsMs 2456399 Specdb::MsMs 2479315 Specdb::MsMs 2479316 Specdb::MsMs 2479317 Specdb::CMs 25751 Specdb::CMs 689640 Specdb::CMs 689641 Specdb::CMs 689642 Specdb::CMs 689643 Specdb::CMs 689644 Specdb::CMs 689645 Specdb::CMs 689646 Specdb::CMs 689647 Specdb::CMs 689648 Specdb::CMs 689649 Specdb::CMs 689650 Specdb::CMs 689651 Specdb::CMs 689652 Specdb::CMs 689653 Specdb::CMs 689654 Specdb::CMs 689655 Specdb::CMs 689656 Specdb::CMs 689657 Specdb::CMs 689658 Specdb::CMs 689659 Specdb::CMs 689660 Specdb::CMs 689661 Specdb::CMs 689662 Specdb::CMs 689663 Specdb::NmrOneD 29862 Specdb::NmrOneD 29863 Specdb::NmrOneD 29864 Specdb::NmrOneD 29865 Specdb::NmrOneD 29866 Specdb::NmrOneD 29867 Specdb::NmrOneD 29868 Specdb::NmrOneD 29869 Specdb::NmrOneD 29870 Specdb::NmrOneD 29871 Specdb::NmrOneD 29872 Specdb::NmrOneD 29873 Specdb::NmrOneD 29874 Specdb::NmrOneD 29875 Specdb::NmrOneD 29876 Specdb::NmrOneD 29877 Specdb::NmrOneD 29878 Specdb::NmrOneD 29879 Specdb::NmrOneD 29880 Specdb::NmrOneD 29881 HMDB38870 #<Reference:0x000055ce2edf2490> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic