2'-Deoxy-2'-.β.-Fluoro-Adenosine

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Properties Simple | Detailed

Formula C10H12FN5O3
IUPAC Name (e)-[5-cyano-3-[3-fluoro-4-oxo-5-(oxomethylene)-2-furyl]-2h-imidazol-4-ylidene]cyanamide
Molecular Mass 269.232 g·mol−1
Heat of Formation -457.4 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 284.83 Å 3
Surface Area 257.1 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-5-(6-amino-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3r,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3r,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-ol
InChIKey ZGYYPTJWJBEXBC-GQTRHBFLSA-N
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