2'-Deoxy-5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Amino}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C10H17N6O11P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid
Molecular Mass 490.197 g·mol−1
Heat of Formation -2612.9 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 473.52 Å 3
Surface Area 377.1 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-deoxyadenosine-5'-(.alpha.,.beta.-imido)triphosphate
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-n-(hydroxy-phosphonooxyphosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [({[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl))amino](hydroxyphosphoryl) dihydrogen phosphate
  • dampnpp
InChIKey WKIPJDSLGCBQCU-RRKCRQDMSA-N
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