3'-O-[Hydroxy(Phenoxy)Phosphoryl]Adenosine

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Formula C16H18N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phenyl hydrogen phosphate
Molecular Mass 423.317 g·mol−1
Heat of Formation -1170.1 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 446.6 Å 3
Surface Area 380.33 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-adenylic acid, monophenyl ester
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] phenyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phenyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phenyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phenyl hydrogen phosphate
  • adenosine 3'-phosphate phenyl ester
  • ap(3')(phenyl)
CAS Number(s)
  • 144828-27-3
InChIKey IKSVKPSJEVGDNO-XNIJJKJLSA-N
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