Apratastat

Molecule SVG Image

Properties Simple | Detailed

Formula C17H22N2O6S2
IUPAC Name (3s)-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid
Molecular Mass 414.496 g·mol−1
Heat of Formation -604.2 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 462.2 Å 3
Surface Area 386.48 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarbohydroxamic acid
  • (3s)-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid
  • (3s)-n-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxamide
  • (3s)-n-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
InChIKey MAVDNGWEBZTACC-HNNXBMFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N