[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4R,5R)-2-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanyl Hydrogen (R)-Phosphate

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Properties Simple | Detailed

Formula C20H25N10O12P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 628.446 g·mol−1
Heat of Formation -1997.7 ± 16.7 kJ·mol−1
Dipole Moment 12.87 ± 1.08 D
Volume 636.62 Å 3
Surface Area 485.35 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.12 ± 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,3r,4r,5r)-2-(2-amino-6-keto-3h-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3r,4r,5r)-2-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3r,4r,5r)-2-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • gpg
  • guanylyl-2',5'-phosphoguanosine
InChIKey YYNDAHWXMRBBRC-MHARETSRSA-N
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