(1S,2R,3S,4R)-4-(6-Amino-2-Fluoro-9H-Purin-9-Yl)-1,2,3-Cyclopentanetriol

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Properties Simple | Detailed

Formula C10H12FN5O3
IUPAC Name (1s,2r,3s,4r)-4-(6-amino-2-fluoro-purin-9-ium-9-yl)cyclopentane-1,2,3-triol
Molecular Mass 269.232 g·mol−1
Heat of Formation -504.2 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 283.48 Å 3
Surface Area 253.63 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4r)-4-(6-amino-2-fluoro-9-purinyl)cyclopentane-1,2,3-triol
  • (1s,2r,3s,4r)-4-(6-amino-2-fluoro-purin-9-yl)cyclopentane-1,2,3-triol
  • (1s,2r,3s,4r)-4-(6-amino-2-fluoropurin-9-yl)cyclopentane-1,2,3-triol
InChIKey AJVKXNXJKJUXAE-LPWJYYESSA-N
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