2-(3-Cyclopentyl-1-Propyn-1-Yl)Adenosine

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Formula C18H23N5O4
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 373.406 g·mol−1
Heat of Formation -336.0 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 441.62 Å 3
Surface Area 365.55 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey ACTXLGWFGGOOKX-NVJLRMAKSA-N
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