[(E)-2-{2-[(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Methyl]Phenyl}Vinyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C14H15N5O4P
IUPAC Name [(e)-2-[2-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methyl]phenyl]vinyl]phosphonic acid
Molecular Mass 348.274 g·mol−1
Heat of Formation -515.2 ± 16.7 kJ·mol−1
Dipole Moment 14.41 ± 1.08 D
Volume 377.31 Å 3
Surface Area 321.73 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(2-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methyl)phenyl)ethenyl)phosphonic acid
  • [(e)-2-[2-[(2-amino-6-keto-3h-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid
  • [(e)-2-[2-[(2-amino-6-oxo-3h-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid
  • mdl 74,428
  • mdl 74428
  • phosphonic acid, (2-(2-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methyl)phenyl)ethenyl)-
CAS Number(s)
  • 139981-26-3
InChIKey ZIHFEHLASQGCRW-AATRIKPKSA-N
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