2-[[(2S)-2-Aminopropyl]-[2-(6-Aminopurine-1,3,7-Triium-9-Yl)Acetyl]Amino]Acetic Acid

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Formula C12H17N7O3
IUPAC Name 2-[[(2s)-2-aminopropyl]-[2-(6-aminopurine-1,3,7-triium-9-yl)acetyl]amino]acetic acid
Molecular Mass 307.308 g·mol−1
Heat of Formation -287.8 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 357.31 Å 3
Surface Area 315.8 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey HIEOEKGNZQBKTF-ZETCQYMHSA-O
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