[(1R)-2-(6-Aminopurin-9-Yl)-1-Methyl-Ethoxy]Methyl-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C9H16N5O10P3
IUPAC Name [(1r)-2-(6-aminopurine-1,3,7-triium-9-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 447.172 g·mol−1
Heat of Formation -2499.5 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 429.06 Å 3
Surface Area 338.41 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r)-2-({[(phosphonooxy)(hydroxyphosphoryl)oxy](hydroxyphosphoryl)}methoxy)propyl]purine-6-ylamine
  • [(1r)-2-(6-amino-9-purinyl)-1-methylethoxy]methyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • [(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
  • [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
  • [2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate
  • pmpa diphosphate
  • pmpapp
  • tenofovir-diphosphate
  • tfvtp
  • tnv
InChIKey IACQCQDWSIQSRP-ZCFIWIBFSA-N
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