Ethyl 4-(3,7-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-1-Yl)-3-Oxo-Butanoate

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Properties Simple | Detailed

Formula C13H17N4O5
IUPAC Name ethyl 4-(3,7-dimethyl-2,6-dioxo-purin-9-ium-5-id-1-yl)-3-oxo-butanoate
Molecular Mass 309.298 g·mol−1
Heat of Formation -729.2 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 347.36 Å 3
Surface Area 317.87 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey UCVYFBSFHMQAPY-UHFFFAOYSA-P
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