5'-O-[{[{[Bis(Chlorooxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C11H17Cl2N5O12P3
IUPAC Name dichlorooxyphosphorylmethyl-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurin-7-ium-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinate
Molecular Mass 575.106 g·mol−1
Heat of Formation -2428.0 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 546.91 Å 3
Surface Area 459.84 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
  • adenosine 5'-(beta,gamma-dichloromethylene) triphosphate
  • adenosine-5'-o-(beta,gamma-dichloromethane)triphosphate
  • beta,gamma-dichloromethane-atp
  • bgd-atp
CAS Number(s)
  • 81336-74-5
InChIKey MYVOXUCRWLLKSA-IOSLPCCCSA-N
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