9-(5,6-Dideoxy-β-D-Lyxo-Hex-5-Ynofuranosyl)-9H-Purin-6-Amine

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Formula C11H11N5O3
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-ethynyl-tetrahydrofuran-3,4-diol
Molecular Mass 261.237 g·mol−1
Heat of Formation -24.8 ± 16.7 kJ·mol−1
Dipole Moment 0.50 ± 1.08 D
Volume 274.46 Å 3
Surface Area 237.93 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey TUULTITVEOMAQD-IOSLPCCCSA-O
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