(2R,3S,5R)-5-(6-Amino-9H-Purin-9-Yl)-2-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H25N10O8P
IUPAC Name [5-(6-aminopurin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [5-(6-amino-8h-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate
Molecular Mass 564.448 g·mol−1
Heat of Formation -1185.7 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 607.99 Å 3
Surface Area 478.0 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
InChIKey VYQONXIMMXHHKS-PRSXHHODSA-N
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