1.0 2016-09-30 22:30:32 UTC 2020-04-22 15:03:32 UTC BMDB0000425 BMDB00425 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 3-Deoxy-D-glycero-D-galacto-2-nonulosonate 2-KDN 2-Keto-3-deoxy-D-glycero-D-galacto-NONONate 2-Keto-3-deoxy-D-glycero-D-galacto-NONONic acid 2-oxo-3-Deoxy-D-glycero-galactononulosonate 2-oxo-3-Deoxy-D-glycero-galactononulosonic acid 3-Deoxy-D-glycero-D-galacto-nonulosonate 3-Deoxy-D-glycero-D-galacto-nonulosonic acid 3-Deoxyglycero-galacto-nonulosonate 3-Deoxyglycero-galacto-nonulosonic acid 3-Deoxyglycerogalacto-2-nonulopyranosonate 3-Deoxyglycerogalacto-2-nonulopyranosonic acid Deoxy-KDN KDN Sialosonate Sialosonic acid SiaX (4S,5R,6R,7R,8S)-4,5,6,7,8,9-Hexahydroxy-2-oxononanoate 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid C9H16O9 268.2179 268.07943211 (4S,5R,6R,7R,8S)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid siaX 22594-61-2 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CC(=O)C(O)=O InChI=1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/t3-,5-,6+,7+,8+/m0/s1 FQHUAUMYHAJTDH-IMSDGWMTSA-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 Alpha-hydroxy ketones Alpha-keto acids and derivatives Beta-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Medium-chain keto acids and derivatives Monocarboxylic acids and derivatives Nonoses Organic oxides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Beta-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Keto acid Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Monosaccharide Nonose monosaccharide Organic oxide Polyol Primary alcohol Secondary alcohol Sugar acid Aliphatic acyclic compounds Solid logp -2.67 ALOGPS logs -0.69 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -3 ChemAxon iupac (4S,5R,6R,7R,8S)-4,5,6,7,8,9-hexahydroxy-2-oxononanoic acid ChemAxon average_mass 268.2179 ChemAxon mono_mass 268.07943211 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CC(=O)C(O)=O ChemAxon formula C9H16O9 ChemAxon inchi InChI=1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/t3-,5-,6+,7+,8+/m0/s1 ChemAxon inchikey FQHUAUMYHAJTDH-IMSDGWMTSA-N ChemAxon polar_surface_area 175.75 ChemAxon refractivity 54.2 ChemAxon polarizability 23.7 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 7 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::MsMs 304513 Specdb::MsMs 304514 Specdb::MsMs 304515 Specdb::MsMs 347734 Specdb::MsMs 347735 Specdb::MsMs 347736 Specdb::MsMs 3045697 Specdb::MsMs 3045698 Specdb::MsMs 3045699 Specdb::MsMs 3095308 Specdb::MsMs 3095309 Specdb::MsMs 3095310 Specdb::CMs 17415 Specdb::CMs 37524 Specdb::CMs 146921 Specdb::CMs 146923 Specdb::CMs 146925 Specdb::CMs 146927 Specdb::CMs 146929 Specdb::CMs 146931 Specdb::CMs 146933 Specdb::CMs 146935 Specdb::CMs 146937 Specdb::CMs 146939 Specdb::CMs 167443 Specdb::CMs 279556 Specdb::CMs 1061404 Specdb::CMs 1061406 Specdb::CMs 1061408 Specdb::CMs 1061410 Specdb::CMs 1061412 Specdb::CMs 1061414 Specdb::CMs 1061416 Specdb::CMs 1061417 Specdb::CMs 1061419 Specdb::CMs 1061421 Specdb::CMs 1061423 Specdb::NmrOneD 20322 Specdb::NmrOneD 20323 Specdb::NmrOneD 20324 Specdb::NmrOneD 20325 Specdb::NmrOneD 20326 Specdb::NmrOneD 20327 Specdb::NmrOneD 20328 Specdb::NmrOneD 20329 Specdb::NmrOneD 20330 Specdb::NmrOneD 20331 Specdb::NmrOneD 20332 Specdb::NmrOneD 20333 Specdb::NmrOneD 20334 Specdb::NmrOneD 20335 Specdb::NmrOneD 20336 Specdb::NmrOneD 20337 Specdb::NmrOneD 20338 Specdb::NmrOneD 20339 Specdb::NmrOneD 20340 Specdb::NmrOneD 20341 FDB022038 17215951 22833524 5414 Nakamura, Mitsunobu; Fujita, Shuji; Furuhata, Kimio; Ogura, Haruo. Synthesis of the nucleoside analogs of 3-deoxy-D-glycero-D-galacto-2-nonulosonic acid (KDN). Nucleic Acids Symposium Series (1991), 25(Symp. Nucleic Acids Chem., 18th, 1991), 137-9.