1.0 2018-06-25 21:50:23 UTC 2020-03-13 17:33:36 UTC BMDB0062096 BMDB62096 beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose Beta-D-Fructofuranosyl-(2,1)-beta-D-fructofuranose belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Beta-D-Fructofuranosyl-(2,1)-beta-D-fructofuranose is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). b-D-Fructofuranosyl-(2,1)-b-D-fructofuranose Β-D-fructofuranosyl-(2,1)-β-D-fructofuranose C12H22O11 342.2965 342.116211546 (2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol (2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol [H][C@@]1(O)[C@@]([H])(CO)O[C@](O)(CO[C@@]2(CO)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])O InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1 WOHYVFWWTVNXTP-IYDDCBTQSA-N belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates C-glycosyl compounds Disaccharides Hemiacetals Hydrocarbon derivatives Ketals Oxacyclic compounds Oxolanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Disaccharide Hemiacetal Hydrocarbon derivative Ketal Organoheterocyclic compound Oxacycle Oxolane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds logp -2.80 ALOGPS logs 0.19 ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 10.26 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles [H][C@@]1(O)[C@@]([H])(CO)O[C@](O)(CO[C@@]2(CO)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1 ChemAxon inchikey WOHYVFWWTVNXTP-IYDDCBTQSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 69.21 ChemAxon polarizability 31.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1302412 Specdb::MsMs 1302413 Specdb::MsMs 1302414 Specdb::MsMs 1416991 Specdb::MsMs 1416992 Specdb::MsMs 1416993 Specdb::MsMs 3610480 Specdb::MsMs 3610481 Specdb::MsMs 3610482 Specdb::MsMs 3610483 Specdb::MsMs 3610484 Specdb::MsMs 3610485 Specdb::CMs 2050 Specdb::CMs 2058 Milk Milk from Friesuan Holstein cows (n=1035) Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 Milk Colman E, Fokkink WB, Craninx M, Newbold JR, De Baets B, Fievez V: Effect of induction of subacute ruminal acidosis on milk fat profile and rumen parameters. J Dairy Sci. 2010 Oct;93(10):4759-73. doi: 10.3168/jds.2010-3158. 20855010 FDB098121 24534198 45109757 Colman E, Fokkink WB, Craninx M, Newbold JR, De Baets B, Fievez V: Effect of induction of subacute ruminal acidosis on milk fat profile and rumen parameters. J Dairy Sci. 2010 Oct;93(10):4759-73. doi: 10.3168/jds.2010-3158. 20855010