2-Fluoroadenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13FN5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 365.212 g·mol−1
Heat of Formation -1443.8 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 360.66 Å 3
Surface Area 321.2 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 2-fluoro-, homopolymer
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 71261-44-4
InChIKey GIUYCYHIANZCFB-UUOKFMHZSA-N
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Elements C F H O N P