5'-O-[(S)-{[(S)-Amino(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Formula C10H16N6O9P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonamidic acid
Molecular Mass 426.216 g·mol−1
Heat of Formation -1929.9 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 421.87 Å 3
Surface Area 362.95 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonamidic acid
InChIKey FQMDCEJHLOLKLI-KQYNXXCUSA-N
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