3-(6-Amino-1H-Purin-1-Yl)Propanoic Acid

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Formula C8H9N5O2
IUPAC Name 3-(6-aminopurin-1-yl)propanoic acid
Molecular Mass 207.189 g·mol−1
Heat of Formation -27.6 ± 16.7 kJ·mol−1
Dipole Moment 9.38 ± 1.08 D
Volume 231.87 Å 3
Surface Area 220.39 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-carboxyethyl)adenine
  • 1h-purine-1-propanoic acid, 6,7-dihydro-6-imino-
  • 3-(6-amino-1-purinyl)propanoic acid
  • 3-(6-aminopurin-1-yl)propanoic acid
  • 3-(6-aminopurin-1-yl)propionic acid
CAS Number(s)
  • 64920-12-3
InChIKey GIUJERYETBHNEB-UHFFFAOYSA-N
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