5'-O-[(S)-[(2S)-2-Amino-3-Phenylpropoxy](Hydroxy)Phosphoryl]Adenosine

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Formula C19H25N6O7P
IUPAC Name [(2s)-2-amino-3-phenyl-propyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 480.412 g·mol−1
Heat of Formation -1215.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 528.22 Å 3
Surface Area 403.65 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s)-2-amino-3-phenyl-propyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-3-phenyl-propyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-3-phenylpropyl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • adenosine-5'-[phenylalaninol-phosphate]
  • fya
InChIKey XNEAAYNJQROQFE-BPAMBQHCSA-N
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