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

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Properties Simple | Detailed

Formula C12H20N6O9P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(2-sulfanylethyl)phosphonamidic acid
Molecular Mass 486.335 g·mol−1
Heat of Formation -1906.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 502.01 Å 3
Surface Area 422.37 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-n-(2-mercaptoethyl)phosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(2-sulfanylethyl)phosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(2-mercaptoethyl)phosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(2-sulfanylethyl)phosphonamidic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-n-(2-sulfanylethyl)phosphonamidic acid
  • ameda
  • p(1)-(5'-adenosyl)-p(2)-n-(2-mercaptoethyl)diphosphoramidate
CAS Number(s)
  • 108490-60-4
InChIKey FPIGRWUROXHTJS-WOUKDFQISA-N
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