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

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Formula C18H24N6O4
IUPAC Name (2r,3r,4s,5r)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 388.421 g·mol−1
Heat of Formation -339.4 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 467.19 Å 3
Surface Area 394.76 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-5-(6-amino-2-hex-1-ynyl-9-purinyl)-n-ethyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
  • (2r,3r,4s,5r)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-n-ethyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2r,3r,4s,5r)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
InChIKey FDEACFAXFCKCHZ-KYZVSKTDSA-N
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