5'-O-[(R)-[(2S)-2-Amino-4-(Methylsulfanyl)Butoxy](Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C15H25N6O7PS
IUPAC Name [(2s)-2-amino-4-methylsulfanyl-butyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 464.434 g·mol−1
Heat of Formation -1334.1 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 507.65 Å 3
Surface Area 424.33 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, mono(2-amino-4-(methylthio)butyl) ester, (s)-
  • [(2s)-2-amino-4-(methylthio)butyl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2s)-2-amino-4-(methylthio)butyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-4-methylsulfanyl-butyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-4-methylsulfanyl-butyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s)-2-amino-4-methylsulfanylbutyl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • l-methionyl adenylate
  • methioninyl adenylate
  • methionyl adenylate
CAS Number(s)
  • 13091-93-5
InChIKey QJJZMJWXTYLFEU-OPYVMVOTSA-N
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