N-(4-Aminobenzyl)Adenosine

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Properties Simple | Detailed

Formula C17H20N6O4
IUPAC Name (2r,3r,4s,5r)-2-[6-[(4-aminophenyl)methylamino]purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 372.379 g·mol−1
Heat of Formation -322.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 423.24 Å 3
Surface Area 378.83 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(4-aminobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-aminophenyl)methylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 4-abza
  • adenosine, n-((4-aminophenyl)methyl)-
  • n(6)-(4-aminobenzyl)adenosine
CAS Number(s)
  • 95523-13-0
InChIKey PMUVNAUPWLXPSA-LSCFUAHRSA-N
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