N-Benzyladenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C17H20N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 437.344 g·mol−1
Heat of Formation -1212.6 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 465.27 Å 3
Surface Area 403.71 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)-9-purinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • benzyl-adenosine monophosphate
  • benzyl-amp
  • n(6)-benzyladenosine-5'-monophosphate
InChIKey DWVANBHPEPSMOV-LSCFUAHRSA-N
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