7-[3-[[(2S)-2-(3,5-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C18H24N5O5
IUPAC Name 7-[3-[[(2s)-2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 390.414 g·mol−1
Heat of Formation -688.3 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 452.69 Å 3
Surface Area 403.32 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey JTELNMNMUXOMFH-QQFBHYJXSA-P
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