{(2R,4S)-4-[(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Methyl]-1,3-Dioxolan-2-Yl}Phosphonic Acid

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Properties Simple | Detailed

Formula C9H12N5O6P
IUPAC Name [(2r,4s)-4-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methyl]-1,3-dioxolan-2-yl]phosphonic acid
Molecular Mass 317.195 g·mol−1
Heat of Formation -997.5 ± 16.7 kJ·mol−1
Dipole Moment 12.31 ± 1.08 D
Volume 328.1 Å 3
Surface Area 283.9 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,4s)-4-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethyl)-[1,3]dioxolan-2-yl]-phosphonic acid
  • [(2r,4s)-4-[(2-amino-6-keto-3h-purin-9-yl)methyl]-1,3-dioxolan-2-yl]phosphonic acid
  • [(2r,4s)-4-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-1,3-dioxolan-2-yl]phosphonic acid
  • bch-1299
  • bch-1845
  • bch-1868
  • cis-2-dihydroxyphosphinoyl-4-(guanin-9'-yl-methyl)-1,3-dioxolane
InChIKey ZFJMCEGWBJYTOT-AJAUBTJJSA-N
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