1.0 2010-04-08 22:14:47 UTC 2015-07-21 06:42:10 UTC FDB020074 Pancal Dietary supplement D-pantothenic acid, na salt Pancal Panthoject Panthothenic acid sodium salt Pantothenic acid, monosodium salt, d- Pantothenic acid, sodium salt Sodium d-pantothenate Sodium pantothenate Sodium pantothenic acid C9H17NNaO5 242.2247 242.100442334 sodium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid sodium DL-pantothenic acid 867-81-2 [Na+].CC(C)(CO)C(O)C(=O)NCCC(O)=O InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1 GQTHJBOWLPZUOI-UHFFFAOYSA-N belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Beta amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides N-acyl amines Organic alkali metal salts Organic cations Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide N-acyl-amine Organic alkali metal salt Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide melting_point Mp 171-178° logp -1.4 ChemAxon pka_strongest_acidic 4.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac sodium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid ChemAxon average_mass 242.2247 ChemAxon mono_mass 242.100442334 ChemAxon smiles [Na+].CC(C)(CO)C(O)C(=O)NCCC(O)=O ChemAxon formula C9H17NNaO5 ChemAxon inchi InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1 ChemAxon inchikey GQTHJBOWLPZUOI-UHFFFAOYSA-N ChemAxon polar_surface_area 106.86 ChemAxon refractivity 51.51 ChemAxon polarizability 21.92 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 13329 Specdb::MsMs 295303 Specdb::MsMs 295304 Specdb::MsMs 295305 HMDB40349