[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5S)-3,4,5-Trihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C15H23N5O15P2
IUPAC Name [[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 575.315 g·mol−1
Heat of Formation -3079.2 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 571.96 Å 3
Surface Area 462.35 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxy-2-tetrahydrofuranyl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • guanosine diphosphoribose
InChIKey JSQOXYZOPSTQIZ-NQRHNBEYSA-N
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