5'-O-[(S)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)Phosphoryl]Methyl}Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C11H18N5O13P3
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 521.208 g·mol−1
Heat of Formation -2903.2 ± 16.7 kJ·mol−1
Dipole Moment 11.69 ± 1.08 D
Volume 496.08 Å 3
Surface Area 389.13 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.97 ± 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]methoxy-[(hydroxy-phosphonooxy-phosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-[(hydroxy-phosphonooxyphosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(hydroxy-phosphonooxy-phosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(hydroxy-phosphonooxy-phosphoryl)methyl]phosphinic acid
  • g2p
  • phosphomethylphosphonic acid guanylate ester
InChIKey GXTIEXDFEKYVGY-KQYNXXCUSA-N
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