Pentafluorophenyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alaninate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H14F5NO4
IUPAC Name (2,3,4,5,6-pentafluorophenyl) (2s)-2-(tert-butoxycarbonylamino)propanoate
Molecular Mass 355.257 g·mol−1
Heat of Formation -1629.1 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 376.15 Å 3
Surface Area 326.28 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3,4,5,6-pentafluorophenyl) (2s)-2-(tert-butoxycarbonylamino)propanoate
  • (2,3,4,5,6-pentafluorophenyl) (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • (2s)-2-(tert-butoxycarbonylamino)propionic acid (2,3,4,5,6-pentafluorophenyl) ester
  • (2s)-2-[(tert-butoxy-oxomethyl)amino]propanoic acid (2,3,4,5,6-pentafluorophenyl) ester
  • boc-ala-opfp
  • boc-alanine pentafluorophenyl ester
  • l-alanine, n-((1,1-dimethylethoxy)carbonyl)-, pentafluorophenyl ester
  • n-((1,1-dimethylethoxy)carbonyl)-l-alanine pentafluorophenyl ester
  • tert-butoxycarbonyl-alanine pentafluorophenyl ester
CAS Number(s)
  • 50903-48-5
InChIKey VBVSINJSQBTTDR-YFKPBYRVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F