5'-O-{[({[(2-{3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl}Ethoxy)Phosphinato]Oxy}Phosphinato)Oxy]Phosphinato}Adenosine

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Properties Simple | Detailed

Formula C22H33N9O13P3S
IUPAC Name [[2-[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-4-methyl-2h-thiazol-2-id-5-yl]ethoxy-oxido-phosphoryl]peroxy-oxo-phosphaniumyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 756.536 g·mol−1
Heat of Formation -2333.8 ± 16.7 kJ·mol−1
Dipole Moment 18.94 ± 1.08 D
Volume 746.65 Å 3
Surface Area 596.29 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -2.20 ± eV
Point Group Symmetry C1
Synonyms
  • [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
  • [[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
  • adenosine thiamine triphosphate
InChIKey FGOYXNBJKMNPDH-SAJUPQAESA-L
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