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

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Formula C13H22N5O4
IUPAC Name 7-[(2s)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 312.345 g·mol−1
Heat of Formation -605.4 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 367.25 Å 3
Surface Area 311.99 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey WBBMXBWQLQZSED-WHXUTIOJSA-P
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