2-Iodo-6-Methoxy-9-(2-Deoxy-2-Fluoro-.β.-D-Ribofuranosyl)Purine

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Formula C11H12FIN4O4
IUPAC Name (2r,3r,4r,5r)-4-fluoro-2-(hydroxymethyl)-5-(2-iodo-6-methoxy-purine-1,3,7-triium-9-yl)tetrahydrofuran-3-ol
Molecular Mass 410.140 g·mol−1
Heat of Formation -532.7 ± 16.7 kJ·mol−1
Dipole Moment 0.57 ± 1.08 D
Volume 342.68 Å 3
Surface Area 310.19 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-4-fluoro-2-(hydroxymethyl)-5-(2-iodo-6-methoxy-9-purinyl)-3-tetrahydrofuranol
  • (2r,3r,4r,5r)-4-fluoro-2-(hydroxymethyl)-5-(2-iodo-6-methoxy-purin-9-yl)oxolan-3-ol
  • (2r,3r,4r,5r)-4-fluoro-2-(hydroxymethyl)-5-(2-iodo-6-methoxy-purin-9-yl)tetrahydrofuran-3-ol
  • (2r,3r,4r,5r)-4-fluoro-2-(hydroxymethyl)-5-(2-iodo-6-methoxypurin-9-yl)oxolan-3-ol
  • (2r,3r,4r,5r)-4-fluoro-5-(2-iodo-6-methoxy-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol
  • 2i-2'f6meo-pur
  • 9-(2-deoxy-2-fluororibofuranosyl)-2-iodo-6-methoxypurine
  • 9-dfr-2-i-6-mp
CAS Number(s)
  • 150863-85-7
InChIKey RZNPNDVANHIBAN-QYYRPYCUSA-N
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