Ethyl Hydrogen ({[(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)Oxy]Methoxy}Methyl)Phosphonate

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Formula C9H14N5O6P
IUPAC Name (2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)oxymethoxymethyl-ethoxy-phosphinic acid
Molecular Mass 319.211 g·mol−1
Heat of Formation -873.1 ± 16.7 kJ·mol−1
Dipole Moment 13.32 ± 1.08 D
Volume 334.64 Å 3
Surface Area 295.22 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2-amino-6-keto-3h-purin-9-yl)oxymethoxymethyl-ethoxy-phosphinic acid
  • (2-amino-6-oxo-3h-purin-9-yl)oxymethoxymethyl-ethoxy-phosphinic acid
  • (2-amino-6-oxo-3h-purin-9-yl)oxymethoxymethyl-ethoxyphosphinic acid
  • 9-(((ethoxyhydroxyphosphinyl)methoxy)methoxy)guanine
  • 9-[[(ethoxyhydroxyphosphinyl)methoxy]methoxy]guanine
  • phosphonic acid, ((((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)oxy)methoxy)methyl)-, monoethyl ester
  • ski 1008
  • ski-1008
CAS Number(s)
  • 159430-16-7
InChIKey VUOGUXKBFXKTQD-UHFFFAOYSA-N
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