gadoversetamide vs (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid

gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid

| gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid formula | C_20H_34GdN_5O_10 | C_9H_10O_3 Hill formula | C_20H_34GdN_5O_10 | C_9H_10O_3 name | gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid IUPAC name | 2-[bis[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation | (2S)-2-hydroxy-2-phenylpropanoic acid mass fractions | C (carbon) 36.3% | Gd (gadolinium) 23.8% | H (hydrogen) 5.18% | N (nitrogen) 10.6% | O (oxygen) 24.2% | C (carbon) 65.1% | H (hydrogen) 6.07% | O (oxygen) 28.9%

| gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid vertex count | 36 | 12 edge count | 36 | 14 Schultz index | 16784 | 764 Wiener index | 4456 | 188 Hosoya index | 5.557×10^6 | 204 Balaban index | 4.927 | 2.532

3D structure

| gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid molar mass | 661.77 g/mol | 166.18 g/mol phase | solid (at STP) | solid (at STP)

| gadoversetamide | (s)-2-hydroxy-2-phenylpropionic acid;(s)-alpha-methylmandelic acid predicted LogP hydrophobicity | 0.36 | 1.07 predicted LogS | -2.41 | -0.93