3-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-3H-Imidazo[2,1-I]Purine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H14N5O6P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 355.243 g·mol−1
Heat of Formation 98.2 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 368.32 Å 3
Surface Area 320.7 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-imidazo(2,1-i)purine, 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-
  • [(2r,3s,5r)-3-hydroxy-5-(3-imidazo[2,1-f]purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 60508-81-8
InChIKey CACCSKNYAUKFAV-DJLDLDEBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N