N6-Methyl-2-Phenylethynyladenosine

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Formula C19H19N5O4
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(2-phenylethynyl)purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 381.385 g·mol−1
Heat of Formation -94.6 ± 16.7 kJ·mol−1
Dipole Moment 0.62 ± 1.08 D
Volume 432.25 Å 3
Surface Area 392.48 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey QPMWMOJXQPUBBF-OYWVLEMYSA-N
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