N-Allyladenosine

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Properties Simple | Detailed

Formula C13H17N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-(allylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 307.305 g·mol−1
Heat of Formation -401.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 346.33 Å 3
Surface Area 311.98 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-(allylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(allylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-(allylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
  • adenosine, n-2-propenyl-
InChIKey WTYYPLSFICPDGL-QYVSTXNMSA-N
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