2-Chloroadenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H14ClN5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 461.646 g·mol−1
Heat of Formation -2154.9 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 440.82 Å 3
Surface Area 385.48 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-adp
  • 2-chloroadenosine-5'-diphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), 2-chloro-
CAS Number(s)
  • 16506-88-0
InChIKey POWNGKCXGCOKLX-UUOKFMHZSA-N
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Elements C Cl H O N P