5'-O-{[(4E)-4-Decen-1-Ylamino](Hydroxy)Phosphoryl}-3'-Deoxyadenosine

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Properties Simple | Detailed

Formula C20H33N6O5P
IUPAC Name [(2s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[(e)-dec-4-enyl]phosphonamidic acid
Molecular Mass 468.487 g·mol−1
Heat of Formation -1011.7 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 559.11 Å 3
Surface Area 488.95 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-tetrahydrofuranyl]methoxy-n-[(e)-dec-4-enyl]phosphonamidic acid
  • [(2s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxy-n-[(e)-dec-4-enyl]phosphonamidic acid
  • [(2s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[(e)-dec-4-enyl]phosphonamidic acid
  • [(2s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-n-[(e)-dec-4-enyl]phosphonamidic acid
  • acdpa
  • adenosine 3',5'-cyclic decylphosphoramidate
  • adenosine, cyclic 3',5'-(decylphosphoramidate)
CAS Number(s)
  • 140686-45-9
InChIKey INLBMHMVQFOIIQ-ONXRFNQYSA-N
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