2-Chloroadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H15ClN5O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 541.626 g·mol−1
Heat of Formation -3063.5 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 499.76 Å 3
Surface Area 421.52 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-atp
  • 2-chloroadenosine-5-triphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 49564-60-5
InChIKey RNGCVFCOKZEZFL-UUOKFMHZSA-N
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