1-Deoxy-1-{2,6,8-Trioxo-7-[6-(Phosphonooxy)Hexyl]-1,2,3,6,7,8-Hexahydro-9H-Purin-9-Yl}-D-Arabinitol

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Formula C16H27N4O11P
IUPAC Name 6-[2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purine-4,5-diid-7-yl]hexyl dihydrogen phosphate
Molecular Mass 482.380 g·mol−1
Heat of Formation -2331.5 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 525.16 Å 3
Surface Area 465.06 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[2,6,8-triketo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purin-7-yl]hexyl dihydrogen phosphate
  • phr
InChIKey SLRQIPDGMUYATQ-FOGDFJRCSA-N
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