N-Allyl-9-(β-L-Xylofuranosyl)-9H-Purin-6-Amine

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Formula C13H17N5O4
IUPAC Name (2s,3s,4s,5s)-2-[6-(allylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 307.305 g·mol−1
Heat of Formation -385.6 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 348.68 Å 3
Surface Area 316.37 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5s)-2-(hydroxymethyl)-5-[6-(prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(allylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(allylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(allylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
InChIKey WTYYPLSFICPDGL-DTITTZBUSA-N
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