2-Amino-4-(6-Amino-1H-Purin-1-Yl)Butanoic Acid

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Properties Simple | Detailed

Formula C9H13N6O2
IUPAC Name (2r)-2-amino-4-(6-aminopurine-3,7,9-triium-6-id-1-yl)butanoic acid
Molecular Mass 237.239 g·mol−1
Heat of Formation -44.8 ± 16.7 kJ·mol−1
Dipole Moment 12.49 ± 1.08 D
Volume 266.89 Å 3
Surface Area 246.94 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey DEJJDJCXTZJXEJ-RXMQYKEDSA-N
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