5'-Deoxy-5'-(2-Propyn-1-Ylamino)Adenosine

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Formula C13H16N6O3
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(prop-2-ynylamino)methyl]tetrahydrofuran-3,4-diol
Molecular Mass 304.305 g·mol−1
Heat of Formation -50.8 ± 16.7 kJ·mol−1
Dipole Moment 0.45 ± 1.08 D
Volume 317.12 Å 3
Surface Area 254.27 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey WYZJLWUBEMXBJJ-QYVSTXNMSA-O
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