2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl 3-(3H-Indol-3-Yl)Alaninate

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Formula C16H16N6O4
IUPAC Name (2,6-dioxo-3,7-dihydropurin-9-ium-5-id-8-yl) (2r)-2-amino-3-[(3r)-3,5-dihydroindol-1-ium-5-id-3-yl]propanoate
Molecular Mass 356.336 g·mol−1
Heat of Formation -252.8 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 388.02 Å 3
Surface Area 355.13 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey XJRPGCBTEMRPMB-APPZFPTMSA-N
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