[(2R,3S,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methyl (2R,3S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-2-(Hydroxymethyl)Tetrahydro-3-Furanyl Hydrogen Phosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C19H25N8O10P
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 556.423 g·mol−1
Heat of Formation -1684.7 ± 16.7 kJ·mol−1
Dipole Moment 10.56 ± 1.08 D
Volume 590.76 Å 3
Surface Area 481.57 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
InChIKey OBCJQWSXSLYWHI-WKSZEZMPSA-N
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