1.0 2016-09-30 23:21:49 UTC 2020-04-22 15:17:22 UTC BMDB0006355 BMDB06355 D-Glucurono-6,3-lactone D-Glucurone D-Glucuronic acid D-Glucuronic acid lactone D-glucurono-3,6-Lactone D-Glucuronolactone Dicurone glucofuranurono-6,3-Lactone Glucoxy Glucurolactone Glucuron Glucurone Glucuronic acid lactone Glucuronolactone Glucuronosan Gluronsan Glycurone Guronsan Reulatt s.s. C6H8O6 176.1241 176.032087988 (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-tetrahydro-3H-furo[3,2-b]furan-2-one 32449-92-6 O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1 OGLCQHRZUSEXNB-WHDMSYDLSA-N belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Organic compounds Organoheterocyclic compounds Furofurans Isosorbides Isosorbides Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hemiacetal Hydrocarbon derivative Isosorbide Lactone Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran Aliphatic heteropolycyclic compounds Solid melting_point 177.5 °C water_solubility 257 mg/mL at 21 °C logp -1.93 ALOGPS logs 0.76 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 11.14 ChemAxon pka_strongest_basic -4 ChemAxon iupac (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one ChemAxon average_mass 176.1241 ChemAxon mono_mass 176.032087988 ChemAxon smiles O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O ChemAxon formula C6H8O6 ChemAxon inchi InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1 ChemAxon inchikey OGLCQHRZUSEXNB-WHDMSYDLSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 32.3 ChemAxon polarizability 14.7 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1973 Specdb::MsIr 2395 Specdb::MsIr 2396 Specdb::MsIr 2397 Specdb::CMs 13606 Specdb::CMs 39008 Specdb::CMs 134045 Specdb::CMs 141779 Specdb::MsMs 95676 Specdb::MsMs 95677 Specdb::MsMs 95678 Specdb::MsMs 159990 Specdb::MsMs 159991 Specdb::MsMs 159992 Specdb::MsMs 2758665 Specdb::MsMs 2758666 Specdb::MsMs 2758667 Specdb::MsMs 2950860 Specdb::MsMs 2950861 Specdb::MsMs 2950862 Specdb::NmrOneD 2039 Specdb::NmrOneD 74252 Specdb::NmrOneD 74253 Specdb::NmrOneD 74254 Specdb::NmrOneD 74255 Specdb::NmrOneD 74256 Specdb::NmrOneD 74257 Specdb::NmrOneD 74258 Specdb::NmrOneD 74259 Specdb::NmrOneD 74260 Specdb::NmrOneD 74261 Specdb::NmrOneD 74262 Specdb::NmrOneD 74263 Specdb::NmrOneD 74264 Specdb::NmrOneD 74265 Specdb::NmrOneD 74266 Specdb::NmrOneD 74267 Specdb::NmrOneD 74268 Specdb::NmrOneD 74269 Specdb::NmrOneD 74270 Specdb::NmrOneD 74271 FDB023903 2006482 C02670 2724333 18268 2216733 CPD-526 Hiroto Chaen, Toshiki Tsuchioka, Tadashi Yamaguchi, Kunihiko Yuuen. Process for producing D-glucuronolactone. 1998, Eur. Pat. Appl. EP0864580A2