[(1R,2R,3S,4R)-4-(6-Amino-9H-Purin-9-Yl)-2,3-Dihydroxycyclopentyl]Methyl Trihydrogen Diphosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H17N5O9P2
IUPAC Name [(1r,2r,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-2,3-dihydroxy-cyclopentyl]methyl phosphono hydrogen phosphate
Molecular Mass 425.228 g·mol−1
Heat of Formation -2030.9 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 428.21 Å 3
Surface Area 364.48 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3s,4r)-4-(6-amino-9-purinyl)-2,3-dihydroxycyclopentyl]methyl phosphono hydrogen phosphate
  • [(1r,2r,3s,4r)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl phosphono hydrogen phosphate
  • [(1r,2r,3s,4r)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl phosphono hydrogen phosphate
  • aristeromycin diphosphate
  • diphosphoric acid, mono((4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl)methyl) ester, (1r-(1alpha,2beta,3beta,4alpha))-
CAS Number(s)
  • 42578-93-8
InChIKey UKTKGUIGSGFJDL-GCXDCGAKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N