1.0 2016-10-03 18:23:42 UTC 2020-04-22 15:46:13 UTC BMDB0011731 BMDB11731 5-Keto-D-gluconate 5-Dehydrogluconate 5-Dehydrogluconic acid 5-Keto-D-gluconic acid D-Lyxo-5-hexulosonic acid 5-dehydro-D-Gluconate 5-K-Gluconate 5-Ketogluconate 5K-Gluconate D-Tagaturonate D-Tagaturonic acid Hex-5-ulosonic acid Tagaturonate C6H10O7 194.1394 194.042652674 2,3,4,6-tetrahydroxy-5-oxohexanoic acid D-xylo-5-hexulosonic acid 3470-36-8 OCC(=O)C(O)C(O)C(O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Acyloins Alpha hydroxy acids and derivatives Alpha-hydroxy ketones Beta hydroxy acids and derivatives Beta-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Monosaccharides Organic oxides Polyols Primary alcohols Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Alpha-hydroxy ketone Beta-hydroxy acid Beta-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Ketone Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Aliphatic acyclic compounds Solid logp -2.51 ALOGPS logs -0.24 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2,3,4,6-tetrahydroxy-5-oxohexanoic acid ChemAxon average_mass 194.1394 ChemAxon mono_mass 194.042652674 ChemAxon smiles OCC(=O)C(O)C(O)C(O)C(O)=O ChemAxon formula C6H10O7 ChemAxon inchi InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) ChemAxon inchikey IZSRJDGCGRAUAR-UHFFFAOYSA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 37.43 ChemAxon polarizability 16.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19393 Specdb::CMs 39782 Specdb::CMs 150901 Specdb::NmrOneD 94292 Specdb::NmrOneD 94293 Specdb::NmrOneD 94294 Specdb::NmrOneD 94295 Specdb::NmrOneD 94296 Specdb::NmrOneD 94297 Specdb::NmrOneD 94298 Specdb::NmrOneD 94299 Specdb::NmrOneD 94300 Specdb::NmrOneD 94301 Specdb::NmrOneD 94302 Specdb::NmrOneD 94303 Specdb::NmrOneD 94304 Specdb::NmrOneD 94305 Specdb::NmrOneD 94306 Specdb::NmrOneD 94307 Specdb::NmrOneD 94308 Specdb::NmrOneD 94309 Specdb::NmrOneD 94310 Specdb::NmrOneD 94311 Specdb::MsMs 309094 Specdb::MsMs 309095 Specdb::MsMs 309096 Specdb::MsMs 353431 Specdb::MsMs 353432 Specdb::MsMs 353433 Specdb::MsMs 2226712 Specdb::MsMs 2227990 Specdb::MsMs 2229068 Specdb::MsMs 2230402 Specdb::MsMs 2803750 Specdb::MsMs 2803751 Specdb::MsMs 2803752 Specdb::MsMs 2874884 Specdb::MsMs 2874885 Specdb::MsMs 2874886 FDB028411 152 157 C01062 CPD-645