9-(α-D-Arabinofuranosyl)-2-(4-Methoxyphenyl)-9H-Purin-6-Amine

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Formula C17H19N5O5
IUPAC Name (2s,3s,4s,5r)-2-[6-amino-2-(4-methoxyphenyl)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 373.363 g·mol−1
Heat of Formation -525.8 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 413.99 Å 3
Surface Area 360.35 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r)-2-[6-amino-2-(4-methoxyphenyl)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5r)-2-[6-amino-2-(4-methoxyphenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2s,3s,4s,5r)-2-[6-amino-2-(4-methoxyphenyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5r)-2-[6-amino-2-(4-methoxyphenyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
InChIKey VKSRAKNPXOTFAX-XPZRHXQJSA-N
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