N-(2-Furylmethyl)-9-(β-L-Xylofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C15H17N5O5
IUPAC Name (2s,3s,4s,5s)-2-[6-(2-furylmethylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 347.326 g·mol−1
Heat of Formation -478.2 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 380.9 Å 3
Surface Area 338.8 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5s)-2-[6-(2-furylmethylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(2-furylmethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(2-furylmethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2s,3s,4s,5s)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey CAGLGYNQQSIUGX-LIBKGXAOSA-N
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