3-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C8H6N6O3
IUPAC Name 2-(2-amino-6-oxo-8h-purine-1,3-diium-9-yl)acetonitrile; carbon dioxide
Molecular Mass 234.172 g·mol−1
Heat of Formation 1077.4 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 246.13 Å 3
Surface Area 232.52 Å 2
HOMO Energy -10.96 ± 0.55 eV
LUMO Energy -5.04 ± eV
Point Group Symmetry C1
InChIKey BYXRWAYRLQEIRT-VKHMYHEASA-N
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