(2R,4S)-2-[(1S)-1-Carboxy-2-Hydroxyethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H15NO5S
IUPAC Name (2r,4s)-2-[(1s)-1-carboxy-2-hydroxy-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 249.284 g·mol−1
Heat of Formation -965.3 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 282.71 Å 3
Surface Area 246.77 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1s)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1s)-2-hydroxy-1-(hydroxymethyl)-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1s)-2-hydroxy-2-keto-1-methylol-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(2s)-1,3-dihydroxy-1-oxo-propan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(2s)-1,3-dihydroxy-1-oxopropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKey NVIIKEPLEZSMNU-NGJCXOISSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N