[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 C12H27N5O4P+
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 336.348 g·mol−1
Heat of Formation -807.8 ± 16.7 kJ·mol−1
Dipole Moment 13.43 ± 1.08 D
Volume 384.56 Å 3
Surface Area 326.91 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.10 ± 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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