[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-4-(2-Methoxyethoxy)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C13H20N5O8P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-(2-methoxyethoxy)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 405.300 g·mol−1
Heat of Formation -1472.7 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 430.47 Å 3
Surface Area 362.21 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-(2-methoxyethoxy)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey SZPMFMOOEUYAMU-QYVSTXNMSA-N
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