9-[(4Z)-5-Deoxy-5-Fluoro-β-D-Threo-Pent-4-Enofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H10FN5O3
IUPAC Name (2r,3s,4s,5z)-2-(6-aminopurin-9-yl)-5-(fluoromethylene)tetrahydrofuran-3,4-diol
Molecular Mass 267.217 g·mol−1
Heat of Formation -351.6 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 280.15 Å 3
Surface Area 255.49 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5z)-2-(6-amino-9-purinyl)-5-(fluoromethylene)tetrahydrofuran-3,4-diol
  • (2r,3s,4s,5z)-2-(6-aminopurin-9-yl)-5-(fluoromethylene)tetrahydrofuran-3,4-diol
  • 4',5'-didehydro-5'-deoxy-5'-fluoroarabinosyladenosine
  • 4,5-dddfa
  • 9h-purin-6-amine, 9-(5-deoxy-5-fluoro-beta-d-threo-pent-4-enofuranosyl)-, (z)-
  • mdl 28842
  • mdl-28842
CAS Number(s)
  • 122289-05-8
InChIKey NAWIFPQLACUTSO-MXGDDHKLSA-N
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