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

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Properties Simple | Detailed

Formula C16H23N5O16P2
IUPAC Name [[(2r,3s,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,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxo-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 603.325 g·mol−1
Heat of Formation -3228.6 ± 16.7 kJ·mol−1
Dipole Moment 15.61 ± 1.08 D
Volume 589.0 Å 3
Surface Area 419.25 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,6s)-3,4-dihydroxy-5-keto-6-methylol-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxo-2-tetrahydropyranyl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxo-oxan-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxo-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • gkd
  • guanosine 5'-diphosphate-4-keto-beta-l-gulose
InChIKey QZZKIVADHWVJFF-UFFCYROPSA-N
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