[(1R,2S,4R)-4-{[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]Methyl}-2-(Phosphonooxy)Cyclopentyl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H20ClN5O8P2
IUPAC Name [(1r,2s,4r)-4-[[2-chloro-6-(methylamino)purine-1,3,7-triium-9-yl]methyl]-2-phosphonooxy-cyclopentyl]methyl dihydrogen phosphate
Molecular Mass 471.727 g·mol−1
Heat of Formation -1897.0 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 479.98 Å 3
Surface Area 412.3 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,4r)-4-[(2-chloro-6-methylamino-9-purinyl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate
  • [(1s,2r,4r)-4-[(2-chloro-6-methylamino-purin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate
  • [(1s,2r,4r)-4-[(2-chloro-6-methylaminopurin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate
  • mrs2279
InChIKey LPZJKPSGEADHTQ-HLTSFMKQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P