6-Methoxy-9-(2-O-Pentanoyl-β-D-Arabinofuranosyl)-9H-Purine

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Properties Simple | Detailed

Formula C16H22N4O6
IUPAC Name [(2r,3s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-ium-9-yl)tetrahydrofuran-3-yl] pentanoate
Molecular Mass 366.369 g·mol−1
Heat of Formation -880.0 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 418.89 Å 3
Surface Area 332.92 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 170u88
  • 2'-valeryl-6-methoxypurine arabinoside
  • 6-methoxy-9-((2-o-valeryl)-beta-d-arabinofuranosyl)-9h-purine
  • 9h-purine, 6-methoxy-9-(2-o-(1-oxopentyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-yl] pentanoate
  • [(2r,3s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl] pentanoate
  • pentanoic acid [(2r,3s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-(6-methoxy-9-purinyl)-3-tetrahydrofuranyl] ester
  • valeric acid [(2r,3s,4r,5r)-4-hydroxy-2-(6-methoxypurin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester
CAS Number(s)
  • 121032-22-2
InChIKey RXPBLZGHNSDINK-NJYNRLGGSA-N
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