2-{[2-(4-Amino-3-Iodophenyl)Ethyl]Amino}Adenosine

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Properties Simple | Detailed

Formula C18H22IN7O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 527.316 g·mol−1
Heat of Formation -320.1 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 494.27 Å 3
Surface Area 436.27 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • 2-(2-(4-amino-3-(125i)iodophenyl)ethylamino)adenosine
  • 2-(2-(4-amino-3-iodophenyl)ethylamino)adenosine
  • pdsp1_000307
  • pdsp2_000305
CAS Number(s)
  • 161536-31-8
InChIKey AFFIAFORFZHTLX-LSCFUAHRSA-N
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