9-{5,6-Dideoxy-6-[Hydroxy(Phosphonooxy)Phosphoryl]-D-Ribo-Hexofuranosyl}-9H-Purin-6-Amine

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Formula C11H17N5O9P2
IUPAC Name 2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl-phosphonooxy-phosphinic acid
Molecular Mass 425.228 g·mol−1
Heat of Formation -1956.8 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 429.94 Å 3
Surface Area 375.08 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]ethyl-phosphonooxyphosphinic acid
  • 2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]ethyl-phosphonooxy-phosphinic acid
  • 2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl-phosphonooxy-phosphinic acid
  • 2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-phosphonooxyphosphinic acid
InChIKey FANAVXXBPKVMFK-IOSLPCCCSA-N
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