Methyl (1R,2R,3S,5S)-3-{[Hydroxy(Phenyl)Phosphoryl]Oxy}-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22NO5P
IUPAC Name [(1s,3s,4r,5r,8s)-4-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid
Molecular Mass 339.323 g·mol−1
Heat of Formation -1031.3 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 397.07 Å 3
Surface Area 320.01 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 3-beta-(phenylphosphonic acid)-8-azabicyclo[3.2.1]octane-2-beta-carboxylic acid methyl ester (#6)
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[(hydroxyphenylphosphinyl)oxy]-8-methyl-, methyl ester, (1r,2r,3s,5s)-
  • [(1r,2r,3s,5s)-2-carbomethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid
  • [(1r,2r,3s,5s)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid
  • [(1r,2r,3s,5s)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylphosphinic acid
  • tgn
InChIKey WJTKWTJTOSZMKO-PMOUVXMZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N