7-(3-{[(2S)-2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino}Propyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-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 -680.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 453.51 Å 3
Surface Area 406.12 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey WVLAAKXASPCBGT-CQSZACIVSA-N
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