2'-O-Ethyladenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C12H18N5O7P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-ethoxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 375.274 g·mol−1
Heat of Formation -1266.0 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 399.14 Å 3
Surface Area 357.16 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-o-ethyl-5'-adenylic acid, homopolymer
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-ethoxy-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-ethoxy-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-ethoxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-ethoxy-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(2'-ethyladenylic acid)
CAS Number(s)
  • 40085-46-9
InChIKey OFQNETPGKTWBEG-WOUKDFQISA-N
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