[3-Hydroxy-5-(3H-Imidazo[2,1-I]Purin-3-Yl)-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3,4,5-Trihydroxytetrahydro-2-Furanyl)Methyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C17H24N5O17P3
IUPAC Name [[(2s,3s,4s,5s)-4-dihydroxyphosphoryloxy-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2s,3r,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 663.317 g·mol−1
Heat of Formation -1774.3 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 605.03 Å 3
Surface Area 491.4 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-oxolan-2-yl)methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphate
  • (3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-tetrahydrofuran-2-yl)methyl [hydroxy-[(3,4,5-trihydroxytetrahydrofuran-2-yl)methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-3-hydroxy-5-imidazo[2,1-f]purine-3,6-diium-3-yl-4-phosphonooxyoxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [3-hydroxy-5-(3-imidazo[2,1-f]purinyl)-4-phosphonooxy-2-tetrahydrofuranyl]methyl [hydroxy-[(3,4,5-trihydroxy-2-tetrahydrofuranyl)methoxy]phosphoryl] hydrogen phosphate
InChIKey KWEQFQACRLGUSH-UHFFFAOYSA-N
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