2-(Butylsulfanyl)Adenosine

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Properties Simple | Detailed

Formula C14H21N5O4S
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-2-butylsulfanyl-purine-1,3,7-triium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 355.413 g·mol−1
Heat of Formation -535.3 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 399.81 Å 3
Surface Area 359.17 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-2-butylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-butylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-butylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(butylthio)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(butylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
InChIKey JUZWTKSKLZRPBL-QYVSTXNMSA-N
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