N-(6-Oxo-6,7-Dihydro-1H-Purin-2-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C8H10N5O3
IUPAC Name (2s)-2-[(6-oxo-1,7-dihydropurine-3,9-diium-5-id-2-yl)amino]propanoic acid
Molecular Mass 224.197 g·mol−1
Heat of Formation -278.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 241.05 Å 3
Surface Area 227.87 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey YCCGSWHBNBAHIT-VKHMYHEASA-N
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