1.0 2010-04-08 22:14:47 UTC 2018-05-29 01:44:52 UTC FDB020075 (±)-Pantothenic acid Ca salt Dietary supplement Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. C18H34CaN2O10 478.548 478.183936473 calcium bis(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid) calcium bis(DL-pantothenic acid) 63409-48-3 [Ca++].CC(C)(CO)C(O)C(=O)NCCC(O)=O.CC(C)(CO)C(O)C(=O)NCCC(O)=O InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2 FAPWYRCQGJNNSJ-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 Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides N-acyl amines 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 cation Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide melting_point Mp 138 dec. (monohydrate) logp -1.4 ChemAxon pka_strongest_acidic 4.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac calcium bis(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid) ChemAxon average_mass 478.548 ChemAxon mono_mass 478.183936473 ChemAxon smiles [Ca++].CC(C)(CO)C(O)C(=O)NCCC(O)=O.CC(C)(CO)C(O)C(=O)NCCC(O)=O ChemAxon formula C18H34CaN2O10 ChemAxon inchi InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2 ChemAxon inchikey FAPWYRCQGJNNSJ-UHFFFAOYSA-N ChemAxon polar_surface_area 106.86 ChemAxon refractivity 51.51 ChemAxon polarizability 21.92 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 2 ChemAxon