2.0 2012-10-10 12:14:58 -0600 2015-06-03 17:25:52 -0600 ECMDB23073 M2MDB003463 beta-D-Allofuranose beta-D-Allofuranose is produced from beta-D-allopyranose by D-ribose pyranase. A furanose is a collective term for carbohydrates that have a chemical structure that includes a five-membered ring system consisting of four carbon atoms and one oxygen atom. The name derives from its similarity to the oxygen heterocycle furan, but the furanose ring does not have double bonds. (2R,3R,4S,5R)-5-(1R)-1,2-dihydroxyethyloxolane-2,3,4-triol b-D-Allofuranose β-D-Allofuranose C6H12O6 180.1559 180.063388116 (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol β-D-allofuranose [H][C@@](O)(CO)[C@@]1([H])O[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 AVVWPBAENSWJCB-AIECOIEWSA-N logp -2.68 ALOGPS logs 0.60 ALOGPS solubility 7.24e+02 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 11.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol ChemAxon average_mass 180.1559 ChemAxon mono_mass 180.063388116 ChemAxon smiles [H][C@@](O)(CO)[C@@]1([H])O[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O ChemAxon formula C6H12O6 ChemAxon inchi InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 ChemAxon inchikey AVVWPBAENSWJCB-AIECOIEWSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 35.92 ChemAxon polarizability 16.39 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1085354 Specdb::EiMs 4809 Specdb::NmrOneD 270358 Specdb::NmrOneD 270359 Specdb::NmrOneD 270360 Specdb::NmrOneD 270361 Specdb::NmrOneD 270362 Specdb::NmrOneD 270363 Specdb::NmrOneD 270364 Specdb::NmrOneD 270365 Specdb::NmrOneD 270366 Specdb::NmrOneD 270367 Specdb::NmrOneD 270368 Specdb::NmrOneD 270369 Specdb::NmrOneD 270370 Specdb::NmrOneD 270371 Specdb::NmrOneD 270372 Specdb::NmrOneD 270373 Specdb::NmrOneD 270374 Specdb::NmrOneD 270375 Specdb::NmrOneD 270376 Specdb::NmrOneD 270377 Specdb::MsMs 28361 Specdb::MsMs 28362 Specdb::MsMs 28363 Specdb::MsMs 34919 Specdb::MsMs 34920 Specdb::MsMs 34921 21627866 50256 D-ribose pyranase P04982 RBSD_ECOLI rbsD http://ecmdb.ca/proteins/P04982.xml D-allose(dup) > beta-D-Allofuranose