N-[2-(4-Amino-3-Iodophenyl)Ethyl]-9-(α-D-Ribofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H21IN6O4
IUPAC Name (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 512.302 g·mol−1
Heat of Formation -316.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 474.33 Å 3
Surface Area 420.19 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodophenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5r)-2-[6-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • adenosine, n-(2-(4-amino-3-iodophenyl)ethyl)-
  • n(6)-2-(4-amino-3-iodophenyl)ethyladenosine
  • nampea
CAS Number(s)
  • 105834-00-2
InChIKey MPIIQNVLVJWSSQ-DRRHNWJESA-N
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