5'-O-(Hydroxy{[Hydroxy({Hydroxy[(2-Hydroxyethyl)(Methyl)Amino]Phosphoryl}Oxy)Phosphoryl]Oxy}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C13H23N6O13P3
IUPAC Name (e)-[5-cyano-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxymethyl]tetrahydrofuran-2-yl]imidazol-1-ium-4-ylidene]cyanamide; isocyanomethoxy-oxo-phosphooxy-phosphonium; methanone
Molecular Mass 564.275 g·mol−1
Heat of Formation -2982.8 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 557.2 Å 3
Surface Area 455.03 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(2-hydroxyethyl)-n-methylphosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(2-hydroxyethyl)-n-methyl-phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(2-hydroxyethyl)-n-methyl-phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(2-hydroxyethyl)-n-methylphosphonamidic acid
  • adenosine 5'-(trihydrogen diphosphate), monoanhydride with (2-hydroxyethyl)methylphosphoramidic acid
  • adenosine triphosphate gamma-(n-(2-hydroxyethyl)-n-methyl)amide
  • atp gamma-(n-(2-hydroxyethyl)-n-methyl)amide
  • n-2-hematp
  • n-2-hydroxyethyl-n-methyl-gamma-amide atp
CAS Number(s)
  • 76644-51-4
InChIKey ZPOMPYXEAWJHTM-QYVSTXNMSA-N
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