N-(4-Amino-3-Iodobenzyl)Adenosine

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Properties Simple | Detailed

Formula C17H19IN6O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[(4-amino-3-iodo-phenyl)methylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 498.275 g·mol−1
Heat of Formation -288.8 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 457.95 Å 3
Surface Area 399.45 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(4-amino-3-iodo-benzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-amino-3-iodo-phenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-amino-3-iodo-phenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-amino-3-iodophenyl)methylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 3-iodo-n(6)-4-aminobenzyladenosine
  • adenosine, n-((4-amino-3-(iodo-125i)phenyl)methyl)-, (1alpha,5z,7e)-
  • iaba
  • n(6)-(4-amino-3-(i(125))iodobenzyl)adenosine
  • n(6)-(4-amino-3-iodobenzyl)adenosine
  • pdsp1_000441
  • pdsp2_000439
CAS Number(s)
  • 95523-14-1
InChIKey REGZQZHKIFOMRK-LSCFUAHRSA-N
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