1.0 2016-09-30 23:26:10 UTC 2020-04-22 15:18:38 UTC BMDB0006802 BMDB06802 O-Phospho-4-hydroxy-L-threonine 4-(Phosphonooxy)-threonine 4-(Phosphonooxy)-L-threonine 4-Phosphooxy-L-threonine 4-Phosphonooxy-L-threonine 4-Phospho-hydroxy-threonine 4-(Phosphohydroxy)-L-threonine 4-Phosphohydroxythreonine 4-Phosphothreonine C4H10NO7P 215.0985 215.019488191 (2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid 4-(phosphonooxy)-L-threonine N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1 FKHAKIJOKDGEII-GBXIJSLDSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-alpha-amino acids Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkyl phosphates Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alkyl phosphate Amine Amino acid Beta-hydroxy acid Carbonyl group Carboxylic acid Fatty acid Hydrocarbon derivative Hydroxy acid L-alpha-amino acid Monoalkyl phosphate Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoric acid ester Primary aliphatic amine Primary amine Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds L-threonine derivative O-phosphoamino acid Solid logp -2.40 ALOGPS logs -0.98 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 1.31 ChemAxon pka_strongest_basic 8.93 ChemAxon iupac (2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid ChemAxon average_mass 215.0985 ChemAxon mono_mass 215.019488191 ChemAxon smiles N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O ChemAxon formula C4H10NO7P ChemAxon inchi InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1 ChemAxon inchikey FKHAKIJOKDGEII-GBXIJSLDSA-N ChemAxon polar_surface_area 150.31 ChemAxon refractivity 38.88 ChemAxon polarizability 16.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -2 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 2502 Specdb::CMs 39094 Specdb::CMs 169065 Specdb::NmrOneD 91552 Specdb::NmrOneD 91553 Specdb::NmrOneD 91554 Specdb::NmrOneD 91555 Specdb::NmrOneD 91556 Specdb::NmrOneD 91557 Specdb::NmrOneD 91558 Specdb::NmrOneD 91559 Specdb::NmrOneD 91560 Specdb::NmrOneD 91561 Specdb::NmrOneD 91562 Specdb::NmrOneD 91563 Specdb::NmrOneD 91564 Specdb::NmrOneD 91565 Specdb::NmrOneD 91566 Specdb::NmrOneD 91567 Specdb::NmrOneD 91568 Specdb::NmrOneD 91569 Specdb::NmrOneD 91570 Specdb::NmrOneD 91571 Specdb::MsMs 27938 Specdb::MsMs 27939 Specdb::MsMs 27940 Specdb::MsMs 34496 Specdb::MsMs 34497 Specdb::MsMs 34498 Specdb::MsMs 2844590 Specdb::MsMs 2844591 Specdb::MsMs 2844592 Specdb::MsMs 2860591 Specdb::MsMs 2860592 Specdb::MsMs 2860593 FDB024088 389731 C06055 440901 18336 DB02609