2-(Methylsulfanyl)Adenosine

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Properties Simple | Detailed

Formula C11H15N5O4S
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-2-methylsulfanyl-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 313.333 g·mol−1
Heat of Formation -465.1 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 341.0 Å 3
Surface Area 297.73 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(methylthio)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 2-(methylthio)adenosine
  • 2-methylthioadenosine
InChIKey AJNDEAZTAFKOOO-KQYNXXCUSA-N
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