2-Chloro-2'-Deoxyadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H15ClN5O12P3
IUPAC Name [[[5-(6-amino-2-chloro-purin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 525.627 g·mol−1
Heat of Formation -2909.3 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 489.51 Å 3
Surface Area 384.44 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-2'-deoxyadenosine-5'-triphosphate
  • 2-cldatp
  • [(2r,3s,5r)-5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 2-chloro-2'-deoxy-
CAS Number(s)
  • 106867-30-5
InChIKey PZCJNHCKXRBBNN-KVQBGUIXSA-N
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Elements C Cl H O N P