(1R,9S,10S,12R)-10-(Hydroxymethyl)-5-Oxo-8,11-Dioxa-2,6-Diazatricyclo[7.2.1.0~2,7~]Dodeca-3,6-Dien-12-Yl Trifluoromethanesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H10F3N2O7S+
IUPAC Name (1r,9s,10s,12r)-10-(hydroxymethyl)-5-oxo-8,11-dioxa-2,6-diazatricyclo[7.2.1.0 2,7 ]dodeca-3,6-dien-12-yl trifluoromethanesulfonate
Molecular Mass 359.256 g·mol−1
Heat of Formation -1557.0 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 332.27 Å 3
Surface Area 287.09 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-o-triflyl-2,3'-anhydroxylosyluracil
  • 2'-trifluoromethane sulfonate-2,3'-anhydro-1-(beta-d-xylofuranosyl)uracil
  • 2,3'-anhydroxy-2'-o-triflyllosyluracil
  • 2-tfaou
  • methanesulfonic acid, trifluoro-, 2,3-dihydro-3-(hydroxymethyl)-9-oxo-2,5-methano-5h,9h-pyrimido(2,1-b)(1,5,3)dioxazepin-11-yl ester, (2s-(2alpha,3beta,5alpha,11s*))-
CAS Number(s)
  • 119637-71-7
InChIKey JIIPELKGBDSQKK-ZAKLUEHWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S