2'-Deoxy-5'-O-(Hydroxy{[Hydroxy(Phosphonomethyl)Phosphoryl]Oxy}Phosphoryl)Guanosine

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Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 505.208 g·mol−1
Heat of Formation -2760.5 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 494.52 Å 3
Surface Area 364.78 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyguanosine 5'-[beta,gamma-methylene]triphosphate
  • [[[(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
  • [[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • ggh
InChIKey QEUKZZGYDFTBEI-RRKCRQDMSA-N
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