3,3'-(2-Amino-6-Oxo-3H-Purine-7,9(6H,8H)-Diyl)Dipropanoic Acid

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Properties Simple | Detailed

Formula C11H15N5O5
IUPAC Name 3-[2-amino-9-(2-carboxyethyl)-6-oxo-3,8-dihydropurin-7-yl]propanoic acid
Molecular Mass 297.267 g·mol−1
Heat of Formation -705.4 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 332.49 Å 3
Surface Area 305.32 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-7,9(6h,8h)-dipropanoic acid, 2-amino-6-oxo-, (3beta)-
  • 3-[2-amino-7-(2-carboxyethyl)-6-keto-3,8-dihydropurin-9-yl]propionic acid
  • 3-[2-amino-7-(2-carboxyethyl)-6-oxo-3,8-dihydropurin-9-yl]propanoic acid
  • 7,9-bis(2-carboxyethyl)guanine
  • 7,9-bis(ce-gua)
CAS Number(s)
  • 93490-22-3
InChIKey BPUDTMYGLKEGOO-UHFFFAOYSA-N
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