7H-Purine-7-Acetic Acid, 2-Amino-1,6-Dihydro-6-Oxo-

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Formula C7H14N5O3+
IUPAC Name 2-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,8,9-hexaid-7-yl)acetic acid
Molecular Mass 216.218 g·mol−1
Heat of Formation -260.3 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 219.46 Å 3
Surface Area 212.58 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-amino-6-keto-3h-purin-7-yl)acetic acid
  • 2-(2-amino-6-oxo-3h-purin-7-yl)acetic acid
  • 2-(2-amino-6-oxo-3h-purin-7-yl)ethanoic acid
  • 7-carboxymethylguanine
CAS Number(s)
  • 73891-84-6
InChIKey DUXOREVYDYHYSJ-UHFFFAOYSA-N
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