1.0 2016-09-30 23:21:36 UTC 2020-04-22 15:17:18 UTC BMDB0006334 BMDB06334 3-Dehydro-L-gulonate 3-Dehydro-L-gulonic acid L-Xylo-hex-3-ulosonic acid C6H10O7 194.1394 194.042652674 (2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid 3-dehydro-L-gulonic acid OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1 WTAHRPBPWHCMHW-LWKDLAHASA-N belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar acids and derivatives 1,3-dicarbonyl compounds Acyloins Alpha hydroxy acids and derivatives Alpha-hydroxy ketones Beta-hydroxy ketones Beta-keto acids and derivatives Carboxylic acids Hexoses Hydrocarbon derivatives Medium-chain keto acids and derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols 1,3-dicarbonyl compound Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Alpha-hydroxy ketone Beta-hydroxy ketone Beta-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Keto acid Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Polyol Primary alcohol Secondary alcohol Sugar acid Aliphatic acyclic compounds hexonic acid ketoaldonic acid Solid logp -2.56 ALOGPS logs -0.27 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.16 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid ChemAxon average_mass 194.1394 ChemAxon mono_mass 194.042652674 ChemAxon smiles OC[C@H](O)[C@@H](O)C(=O)[C@H](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/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1 ChemAxon inchikey WTAHRPBPWHCMHW-LWKDLAHASA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 37.58 ChemAxon polarizability 16.3 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 20889 Specdb::CMs 39002 Specdb::CMs 169797 Specdb::MsIr 2392 Specdb::MsIr 2393 Specdb::MsIr 2394 Specdb::MsMs 26864 Specdb::MsMs 26865 Specdb::MsMs 26866 Specdb::MsMs 33422 Specdb::MsMs 33423 Specdb::MsMs 33424 Specdb::MsMs 2421678 Specdb::MsMs 2421679 Specdb::MsMs 2421680 Specdb::MsMs 2513450 Specdb::MsMs 2513451 Specdb::MsMs 2513452 Specdb::NmrOneD 150160 Specdb::NmrOneD 150161 Specdb::NmrOneD 150162 Specdb::NmrOneD 150163 Specdb::NmrOneD 150164 Specdb::NmrOneD 150165 Specdb::NmrOneD 150166 Specdb::NmrOneD 150167 Specdb::NmrOneD 150168 Specdb::NmrOneD 150169 Specdb::NmrOneD 150170 Specdb::NmrOneD 150171 Specdb::NmrOneD 150172 Specdb::NmrOneD 150173 Specdb::NmrOneD 150174 Specdb::NmrOneD 150175 Specdb::NmrOneD 150176 Specdb::NmrOneD 150177 Specdb::NmrOneD 150178 Specdb::NmrOneD 150179 388406 C00618 439273 FDB023894 16142 35509 BMDBP00259 Lambda-crystallin homolog Q8SPX7 CRYL1 Enzyme