(1S,2S)-2-[(1S)-1-Amino-1-Carboxy-2-(2,6-Dioxo-1,2,3,6-Tetrahydro-9H-Purin-9-Yl)Ethyl]Cyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C12H14N5O6
IUPAC Name (1r,2r)-2-[(1r)-1-amino-1-carboxy-2-(2,6-dioxo-3h-purin-7-ium-4-id-9-yl)ethyl]cyclopropanecarboxylic acid
Molecular Mass 324.269 g·mol−1
Heat of Formation -758.0 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 347.14 Å 3
Surface Area 299.26 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey GTVQXKHWYDSDNM-LLORDRAXSA-N
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