N-{2-[4-Azido-3-(~125~I)Iodophenyl]Ethyl}Adenosine

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Properties Simple | Detailed

Formula C18H19IN8O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[2-(4-azido-3-(125i)iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 536.299 g·mol−1
Heat of Formation 25.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 498.42 Å 3
Surface Area 438.72 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • azpnea
  • n(6)-2-(4-azido-3-iodophenyl)ethyladenosine
CAS Number(s)
  • 105811-49-2
InChIKey JCAFOLRGWKNCGC-DVPMXGFESA-N
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