[5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-1,1-Difluoropentyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C10H14F2N5O4P
IUPAC Name [5-(2-amino-6-oxo-3h-purin-9-yl)-1,1-difluoro-pentyl]phosphonic acid
Molecular Mass 337.220 g·mol−1
Heat of Formation -1219.2 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 348.55 Å 3
Surface Area 295.01 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(5,5-difluoro-5-phosphonopentyl)guanine
  • [5-(2-amino-6-keto-3h-purin-9-yl)-1,1-difluoro-pentyl]phosphonic acid
  • [5-(2-amino-6-oxo-3h-purin-9-yl)-1,1-difluoro-pentyl]phosphonic acid
  • [5-(2-amino-6-oxo-3h-purin-9-yl)-1,1-difluoropentyl]phosphonic acid
  • ha1
InChIKey JANQQPWTLXUSCD-UHFFFAOYSA-N
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Elements C F H O N P