[5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,3-Dimethylpentyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C12H20N5O4P
IUPAC Name [5-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-3,3-dimethyl-pentyl]phosphonic acid
Molecular Mass 329.292 g·mol−1
Heat of Formation -831.7 ± 16.7 kJ·mol−1
Dipole Moment 14.72 ± 1.08 D
Volume 378.79 Å 3
Surface Area 315.62 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(3,3-dimethyl-5-phosphonopentyl)guanine
  • [5-(2-amino-6-keto-3h-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid
  • [5-(2-amino-6-oxo-3h-purin-9-yl)-3,3-dimethyl-pentyl]phosphonic acid
  • [5-(2-amino-6-oxo-3h-purin-9-yl)-3,3-dimethylpentyl]phosphonic acid
  • dmppg
CAS Number(s)
  • 155270-69-2
InChIKey UYGTVQNSPBEEPR-UHFFFAOYSA-N
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