N-Benzyladenosine

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Properties Simple | Detailed

Formula C17H19N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-(benzylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 357.364 g·mol−1
Heat of Formation -348.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 405.74 Å 3
Surface Area 358.03 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-(benzylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(phenylmethylamino)-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(phenylmethylamino)purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(phenylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol
  • 2-(6-benzylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • 6-benzylamino-9beta-d-ribofuranosylpurine
  • adenosine, n-(phenylmethyl)- (9ci)
  • adenosine, n-benzyl- (8ci)
  • n(6)-benzyladenosine
  • n6-benzyladenosine
  • pdsp1_001032
  • pdsp2_001016
InChIKey MRPKNNSABYPGBF-LSCFUAHRSA-N
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