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

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Properties Simple | Detailed

Formula C17H19N6O12P2S---
IUPAC Name 5-[2-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxyethyl]-4-methyl-1,3-thiazole-2-carboxylate
Molecular Mass 593.378 g·mol−1
Heat of Formation -989.3 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 526.68 Å 3
Surface Area 387.95 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-[[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxyethyl]-4-methyl-2-thiazolecarboxylate
  • 5-[2-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxyethyl]-4-methyl-1,3-thiazole-2-carboxylate
  • 5-[2-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxyethyl]-4-methyl-thiazole-2-carboxylate
  • adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
  • ahz
InChIKey VGXBGQACJQRWLV-LKGUXBDMSA-K
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