7-[2-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C17H22N5O5
IUPAC Name 7-[2-[[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 376.387 g·mol−1
Heat of Formation -655.7 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 429.04 Å 3
Surface Area 316.35 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey RSVJOSXOTRZSFU-NFOMZHRRSA-P
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