3'-Amino-3'-Deoxyadenosine 5'-(Trihydrogen Diphosphate)

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Formula C10H16N6O9P2
IUPAC Name [(2s,3s,4r,5r)-3-amino-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 426.216 g·mol−1
Heat of Formation -1955.0 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 420.95 Å 3
Surface Area 363.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-deoxy 3'-amino adenosine-5'-diphosphate
  • 3an
  • [(2s,3s,4r,5r)-3-amino-5-(6-amino-9-purinyl)-4-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
InChIKey VKODIDNZKBYXJO-QYYRPYCUSA-N
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