1.0 2020-04-03 17:08:44 UTC 2020-04-03 17:08:46 UTC FDB098404 alpha-D-Allofuranose C6H12O6 180.156 180.063388106 (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol α-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-RXRWUWDJSA-N belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Pentoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Hemiacetal Hydrocarbon derivative Organoheterocyclic compound Oxacycle Pentose monosaccharide Polyol Primary alcohol Secondary alcohol Tetrahydrofuran D-allofuranose 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 (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol ChemAxon average_mass 180.156 ChemAxon mono_mass 180.063388106 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-RXRWUWDJSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 35.92 ChemAxon polarizability 16.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1265392 Specdb::MsMs 1265393 Specdb::MsMs 1265394 Specdb::MsMs 1380463 Specdb::MsMs 1380464 Specdb::MsMs 1380465 Specdb::MsMs 3610762 Specdb::MsMs 3610763 Specdb::MsMs 3610764 Specdb::MsMs 3610765 Specdb::MsMs 3610766 Specdb::MsMs 3610767 Milk (Cow) Type 2 specific