({[(2S)-1-(6-Amino-9H-Purin-9-Yl)-3-Fluoro-2-Propanyl]Oxy}Methyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C9H13FN5O4P
IUPAC Name [(1s)-1-[(6-aminopurine-1,3,7-triium-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid
Molecular Mass 305.203 g·mol−1
Heat of Formation -903.4 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 321.25 Å 3
Surface Area 287.53 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-9-[(3-fluoro-2-(phosphonylmethoxy)propyl]adenine
  • (s)-fpmpa
  • [(1s)-1-[(6-amino-9-purinyl)methyl]-2-fluoroethoxy]methylphosphonic acid
  • [(1s)-1-[(6-aminopurin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid
  • [(2s)-1-(6-aminopurin-9-yl)-3-fluoro-propan-2-yl]oxymethylphosphonic acid
  • [(2s)-1-(6-aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
InChIKey BFZJTDBFUROXJA-ZCFIWIBFSA-N
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Elements C F H O N P