1.0 2016-10-03 18:34:58 UTC 2020-04-22 15:49:17 UTC BMDB0012250 BMDB12250 L-Aspartyl-4-phosphate L-Aspartyl-4-phosphoric acid 4-Phospho-L-aspartate L-4-Aspartyl phosphate L-Aspartyl-4-p L-Aspartyl-b-phosphate L-Aspartyl-beta-phosphate L-b-Aspartyl-p L-b-Aspartyl-phosphate L-beta-Aspartyl-p L-beta-Aspartyl-phosphate C4H8NO7P 213.0826 213.003838127 2-amino-4-oxo-4-(phosphonooxy)butanoic acid aspartyl phosphate 22138-53-0 NC(CC(=O)OP(O)(O)=O)C(O)=O InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11) IXZNKTPIYKDIGG-UHFFFAOYSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aspartic acid and derivatives Acyl monophosphates Alpha amino acids Amino acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organopnictogen compounds Acyl monophosphate Acyl phosphate Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Aspartic acid or derivatives Carbonyl group Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds Solid logp -1.91 ALOGPS logs -1.21 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.08 ChemAxon pka_strongest_basic 8.6 ChemAxon iupac 2-amino-4-oxo-4-(phosphonooxy)butanoic acid ChemAxon average_mass 213.0826 ChemAxon mono_mass 213.003838127 ChemAxon smiles NC(CC(=O)OP(O)(O)=O)C(O)=O ChemAxon formula C4H8NO7P ChemAxon inchi InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11) ChemAxon inchikey IXZNKTPIYKDIGG-UHFFFAOYSA-N ChemAxon polar_surface_area 147.15 ChemAxon refractivity 37.69 ChemAxon polarizability 16.08 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 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 19030 Specdb::CMs 39885 Specdb::MsMs 27674 Specdb::MsMs 27675 Specdb::MsMs 27676 Specdb::MsMs 34232 Specdb::MsMs 34233 Specdb::MsMs 34234 Specdb::NmrOneD 324572 Specdb::NmrOneD 324573 Specdb::NmrOneD 324574 Specdb::NmrOneD 324575 Specdb::NmrOneD 324576 Specdb::NmrOneD 324577 Specdb::NmrOneD 324578 Specdb::NmrOneD 324579 Specdb::NmrOneD 324580 Specdb::NmrOneD 324581 Specdb::NmrOneD 324582 Specdb::NmrOneD 324583 Specdb::NmrOneD 324584 Specdb::NmrOneD 324585 Specdb::NmrOneD 324586 Specdb::NmrOneD 324587 Specdb::NmrOneD 324588 Specdb::NmrOneD 324589 Specdb::NmrOneD 324590 Specdb::NmrOneD 324591 C03082 FDB028892 832 809 L-BETA-ASPARTYL-P