5'-O-{Hydroxy[(Mesitylcarbonyl)Oxy]Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C20H24N5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2,4,6-tri(methyl)benzoate
Molecular Mass 493.407 g·mol−1
Heat of Formation -1524.6 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 533.65 Å 3
Surface Area 421.97 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-trimethylbenzoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • 2,4,6-trimethylbenzoic acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • 5'-adenylic acid, monoanhydride with 2,4,6-trimethylbenzoic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2,4,6-trimethylbenzoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2,4,6-trimethylbenzoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,4,6-trimethylbenzoate
  • mesitoyl-adenosine monophosphate
  • mesitoyl-amp
CAS Number(s)
  • 56004-30-9
InChIKey VLAMPHFZDHBNCZ-BGIGGGFGSA-N
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