1-Deoxy-1-[7-(5,5-Difluoro-5-Phosphonopentyl)-2,6,8-Trioxo-1,2,3,6,7,8-Hexahydro-9H-Purin-9-Yl]-D-Arabinitol

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Formula C15H25F2N4O10P
IUPAC Name [1,1-difluoro-5-[2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purine-4,5-diid-7-yl]pentyl]phosphonic acid
Molecular Mass 490.350 g·mol−1
Heat of Formation -2550.0 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 502.71 Å 3
Surface Area 439.71 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • [1,1-difluoro-5-[2,6,8-triketo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purin-7-yl]pentyl]phosphonic acid
  • tsf
InChIKey ZBEBHCIQAVPUSI-MRTMQBJTSA-N
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Elements C F H O N P