5'-O-(Phosphonoacetyl)Adenosine

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Properties Simple | Detailed

Formula C12H16N5O8P
IUPAC Name [2-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid
Molecular Mass 389.258 g·mol−1
Heat of Formation -1462.1 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 400.19 Å 3
Surface Area 334.82 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy]-2-oxoethyl]phosphonic acid
  • [2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid
  • [2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-keto-ethyl]phosphonic acid
  • [2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid
  • [2-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
  • adenosine phosphonoacetic acid
  • son
InChIKey KJNLSEOJEFDELT-JJNLEZRASA-N
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