(2S,3S,4R,5R)-5-[6-Amino-2-(1-Hexyn-1-Yl)-9H-Purin-9-Yl]-N-Ethyl-3,4-Dihydroxytetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C18H24N6O4
IUPAC Name (2r,3r,4s,5r)-5-(6-amino-2-hex-1-ynyl-purine-1,3,7-triium-9-yl)-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 388.421 g·mol−1
Heat of Formation -312.0 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 458.53 Å 3
Surface Area 415.01 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey FDEACFAXFCKCHZ-UHQDVWGKSA-N
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