2'-Deoxy-5'-O-{[(P,P-Dihydroxyphosphorimidoyl)Oxy](Hydroxy)Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C10H16N6O8P2
IUPAC Name [[[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-dihydroxy-phosphaniumyl]azanide
Molecular Mass 410.217 g·mol−1
Heat of Formation -1725.9 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 406.84 Å 3
Surface Area 332.13 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5'-adenylyl imidodiphosphate
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydroxyphosphinimyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate
  • adenosine, 2'-deoxy-, 5'-(trihydrogen imidotriphosphate)
  • damp-pnp
CAS Number(s)
  • 119447-19-7
InChIKey UVSPZBVHHGHPMC-RRKCRQDMSA-N
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