1.0 2016-09-30 23:26:09 UTC 2020-04-22 15:18:38 UTC BMDB0006801 BMDB06801 2-Oxo-3-hydroxy-4-phosphobutanoic acid (3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate 2-oxo-3-Hydroxy-4-phosphobutanoate alpha-Keto-3-hydroxy-4-phosphobutyrate (3R)-3-Hydroxy-2-oxo-4-phosphooxybutanoate (3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoic acid a-Keto-3-hydroxy-4-phosphobutyrate a-Keto-3-hydroxy-4-phosphobutyric acid alpha-Keto-3-hydroxy-4-phosphobutyric acid Α-keto-3-hydroxy-4-phosphobutyrate Α-keto-3-hydroxy-4-phosphobutyric acid (3R)-3-Hydroxy-2-oxo-4-phosphooxybutanoic acid C4H7O8P 214.0673 213.987853712 (3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid (3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid O[C@H](COP(O)(O)=O)C(=O)C(O)=O InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1 MZJFVXDTNBHTKZ-UWTATZPHSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Short-chain keto acids and derivatives Acyloins Alpha-hydroxy ketones Alpha-keto acids and derivatives Beta hydroxy acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxy ketone Alpha-keto acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Ketone Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Secondary alcohol Short-chain keto acid Aliphatic acyclic compounds 2-oxo monocarboxylic acid 3-hydroxy monocarboxylic acid carboxyalkyl phosphate hydroxyalkyl phosphate oxoalkyl phosphate Solid logp -2.01 ALOGPS logs -1.12 ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 1.34 ChemAxon pka_strongest_basic -4 ChemAxon iupac (3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid ChemAxon average_mass 214.0673 ChemAxon mono_mass 213.987853712 ChemAxon smiles O[C@H](COP(O)(O)=O)C(=O)C(O)=O ChemAxon formula C4H7O8P ChemAxon inchi InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1 ChemAxon inchikey MZJFVXDTNBHTKZ-UWTATZPHSA-N ChemAxon polar_surface_area 141.36 ChemAxon refractivity 36.6 ChemAxon polarizability 15.26 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 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 3197 Specdb::CMs 39093 Specdb::CMs 163830 Specdb::MsMs 25571 Specdb::MsMs 25572 Specdb::MsMs 25573 Specdb::MsMs 32129 Specdb::MsMs 32130 Specdb::MsMs 32131 Specdb::MsMs 2396523 Specdb::MsMs 2396524 Specdb::MsMs 2396525 Specdb::MsMs 2542211 Specdb::MsMs 2542212 Specdb::MsMs 2542213 Specdb::NmrOneD 91532 Specdb::NmrOneD 91533 Specdb::NmrOneD 91534 Specdb::NmrOneD 91535 Specdb::NmrOneD 91536 Specdb::NmrOneD 91537 Specdb::NmrOneD 91538 Specdb::NmrOneD 91539 Specdb::NmrOneD 91540 Specdb::NmrOneD 91541 Specdb::NmrOneD 91542 Specdb::NmrOneD 91543 Specdb::NmrOneD 91544 Specdb::NmrOneD 91545 Specdb::NmrOneD 91546 Specdb::NmrOneD 91547 Specdb::NmrOneD 91548 Specdb::NmrOneD 91549 Specdb::NmrOneD 91550 Specdb::NmrOneD 91551 FDB030351 C06054 21145142 27951