(1R,2S,3S,4R,5R)-3-(6-Amino-9H-Purin-9-Yl)-4-Fluoro-5-(Hydroxymethyl)-1,2-Cyclopentanediol

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Formula C11H14FN5O3
IUPAC Name (1r,2s,3s,4r,5r)-3-(6-aminopurin-9-ium-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Mass 283.259 g·mol−1
Heat of Formation -500.6 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 307.0 Å 3
Surface Area 274.41 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-6'-.beta.-fluro-aristeromycin
  • 3-(6-amino-purin-9-yl)-4-fluoro-5-hydroxymethyl-cyclopentane-1,2-diol, rel-(1r,2s,3s,4r,5r)
  • f-c-ado
InChIKey LFSGVDMIBZBPPJ-QCFOWSJWSA-N
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