(2R)-2-[(1-Benzothiophen-2-Ylcarbonyl)Amino]-3-Phenylpropyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H16NO5PS
IUPAC Name n-[(1r)-1-benzyl-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]ethyl]benzothiophene-2-carboxamide
Molecular Mass 389.362 g·mol−1
Heat of Formation -971.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 443.72 Å 3
Surface Area 377.47 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-(1-benzothiophen-2-ylcarbonylamino)-3-phenyl-propyl] dihydrogen phosphate
  • [(2r)-2-(1-benzothiophene-2-carbonylamino)-3-phenylpropyl] dihydrogen phosphate
  • [(2r)-2-(benzothiophene-2-carbonylamino)-3-phenyl-propyl] dihydrogen phosphate
  • [(2r)-2-[(2-benzothiophenyl-oxomethyl)amino]-3-phenylpropyl] dihydrogen phosphate
InChIKey SXNKHSLGMRZBAC-OAHLLOKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S