Diphenyl {[2-(6-Amino-9H-Purin-9-Yl)Ethoxy]Methyl}Phosphonate

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Properties Simple | Detailed

Formula C20H20N5O4P
IUPAC Name 9-[2-(diphenoxyphosphorylmethoxy)ethyl]purin-9-ium-6-amine
Molecular Mass 425.378 g·mol−1
Heat of Formation -404.2 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 493.99 Å 3
Surface Area 391.42 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[2-[bis(phenoxy)phosphorylmethoxy]ethyl]-6-purinamine
  • 9-[2-[bis(phenoxy)phosphorylmethoxy]ethyl]purin-6-amine
  • [9-[2-[bis(phenoxy)phosphorylmethoxy]ethyl]purin-6-yl]amine
  • diphenyl-pmea
  • phosphonic acid, ((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)-, diphenyl ester
  • phosphonic acid, [[2-(6-amino-9h-purin-9-yl)ethoxy]methyl]-, diphenyl ester
CAS Number(s)
  • 142341-24-0
InChIKey QNEKETGRJAVLNV-UHFFFAOYSA-N
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