9-(5-O-Pentanoyl-β-D-Arabinofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C15H21N5O5
IUPAC Name [(2r,3s,4s,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl pentanoate
Molecular Mass 351.358 g·mol−1
Heat of Formation -743.0 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 396.81 Å 3
Surface Area 320.51 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-purin-6-amine, 9-(5-o-(1-oxopentyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl pentanoate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl pentanoate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pentanoate
  • ara-a-5'-valerate
  • arabinofuranosyladenine 5'-valerate
  • pentanoic acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester
  • pentanoic acid [(2r,3s,4s,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • valeric acid [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • vidarabine 5'-valerate
CAS Number(s)
  • 65926-31-0
InChIKey UTXZRKUAJPWZOZ-UPSWMWPXSA-N
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