[(2S,3S,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methylene Bis[Dihydrogen (Phosphate)]

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Properties Simple | Detailed

Formula C10H16N5O11P2
IUPAC Name [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
Molecular Mass 444.208 g·mol−1
Heat of Formation -2349.3 ± 16.7 kJ·mol−1
Dipole Moment 12.07 ± 1.08 D
Volume 430.55 Å 3
Surface Area 364.23 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 3',5'-gdp
  • 3'-guanylic acid, 5'-(dihydrogen phosphate)
  • [[(2s,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]-phosphonooxymethyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxyoxolan-2-yl]-phosphonooxymethyl] dihydrogen phosphate
CAS Number(s)
  • 28079-03-0
  • 3237-37-4
InChIKey JUPWAMVUQSUYGY-RPDRRWSUSA-N
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