1.0 2016-09-30 22:44:59 UTC 2020-04-22 15:07:54 UTC BMDB0001376 BMDB01376 2-Keto-3-deoxy-6-phosphogluconic acid 2-Dehydro-3-deoxy-6-phospho-D-gluconate 2-Dehydro-3-deoxy-D-gluconate 6-phosphate 2-Keto-3-deoxy-6-phosphogluconate 3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphate 6-Phospho-2-dehydro-3-deoxy-D-gluconate KDPG Intermediate 2-Dehydro-3-deoxy-6-phospho-D-gluconic acid 2-Dehydro-3-deoxy-D-gluconic acid 6-phosphoric acid 3-Deoxy-D-erythro-hex-2-ulosonate 6-phosphate 3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphoric acid 6-Phospho-2-dehydro-3-deoxy-D-gluconic acid KDPG Intermediic acid 2-dehydro-3-Deoxy-D-gluconate-6-phosphate 2-keto-3-Deoxy-6-P-gluconate 2-keto-3-Deoxy-6-phospho-gluconate 2-keto-3-Deoxygluconate-6-P 6-P-2-K-3-deo-Gluconate 6-phospho-2-dehydro-3-Deoxygluconate 6-phospho-2-keto-3-Deoxygluconate C6H11O9P 258.1199 258.014068462 (4S,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid kdpg intermediate 27244-54-8 O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 OVPRPPOVAXRCED-WVZVXSGGSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Medium-chain keto acids and derivatives 1,2-diols Alpha-hydroxy ketones Alpha-keto acids and derivatives Beta-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxy ketone Alpha-keto acid Beta-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Medium-chain keto acid Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Secondary alcohol Aliphatic acyclic compounds ketoaldonic acid phosphate Solid logp -2.36 ALOGPS logs -1.26 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (4S,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid ChemAxon average_mass 258.1199 ChemAxon mono_mass 258.014068462 ChemAxon smiles O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O ChemAxon formula C6H11O9P ChemAxon inchi InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 ChemAxon inchikey OVPRPPOVAXRCED-WVZVXSGGSA-N ChemAxon polar_surface_area 161.59 ChemAxon refractivity 47.19 ChemAxon polarizability 20.17 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -3 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 25704 Specdb::CMs 38044 Specdb::CMs 160207 Specdb::MsMs 25796 Specdb::MsMs 25797 Specdb::MsMs 25798 Specdb::MsMs 32354 Specdb::MsMs 32355 Specdb::MsMs 32356 Specdb::MsMs 2818422 Specdb::MsMs 2818423 Specdb::MsMs 2818424 Specdb::MsMs 2887837 Specdb::MsMs 2887838 Specdb::MsMs 2887839 Specdb::NmrOneD 87972 Specdb::NmrOneD 87973 Specdb::NmrOneD 87974 Specdb::NmrOneD 87975 Specdb::NmrOneD 87976 Specdb::NmrOneD 87977 Specdb::NmrOneD 87978 Specdb::NmrOneD 87979 Specdb::NmrOneD 87980 Specdb::NmrOneD 87981 Specdb::NmrOneD 87982 Specdb::NmrOneD 87983 Specdb::NmrOneD 87984 Specdb::NmrOneD 87985 Specdb::NmrOneD 87986 Specdb::NmrOneD 87987 Specdb::NmrOneD 87988 Specdb::NmrOneD 87989 Specdb::NmrOneD 87990 Specdb::NmrOneD 87991 C04442 FDB022588 2338483 15925 3080745 2-KETO-3-DEOXY-6-P-GLUCONATE C00019434 6202