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

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Properties Simple | Detailed

Formula C11H14FN5O3
IUPAC Name (1s,2r,3r,4s,5s)-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 -500.5 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 306.8 Å 3
Surface Area 274.73 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3r,4s,5s)-3-(6-amino-9-purinyl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2r,3r,4s,5s)-3-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,2-diol
  • (1s,2r,3r,4s,5s)-3-(6-aminopurin-9-yl)-4-fluoro-5-methylol-cyclopentane-1,2-diol
  • 1,2-cyclopentanediol, 3-adenin-9-yl-4-fluoro-5-(hydroxymethyl)-
  • 3-adenin-9-yl-4-fluoro-5-(hydroxymethyl)-1,2-cyclopentanediol
  • 6'-fluoroaristeromycin
CAS Number(s)
  • 115509-32-5
InChIKey LFSGVDMIBZBPPJ-JKBCRHRPSA-N
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