2-Iodo-4-Nitro-6-(((9-β-D-Ribofuranosyl-9H-Purin-6-Yl)Thio)Methyl)Phenol

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Formula C17H16IN5O7S
IUPAC Name (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 561.308 g·mol−1
Heat of Formation -459.5 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 502.05 Å 3
Surface Area 427.75 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitro-benzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 6-((2-hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
  • ih-nbmpr
  • iodohydroxynitrobenzylthioinosine
  • phenol, 2-iodo-4-nitro-6-(((9-beta-d-ribofuranosyl-9h-purin-6-yl)thio)methyl)-
CAS Number(s)
  • 109982-34-5
InChIKey DKVZUGNICGXNBN-IWCJZZDYSA-N
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