5'-S-Isobutyl-5'-Thioadenosine

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Properties Simple | Detailed

Formula C14H21N5O3S
IUPAC Name (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 339.413 g·mol−1
Heat of Formation -362.9 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 399.97 Å 3
Surface Area 314.41 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(6-amino-9-purinyl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(isobutylthio)methyl]tetrahydrofuran-3,4-diol
  • 5'-deoxy-5'-s-isobutyladenosine
  • 5'-deoxy-5'-s-isobutylthioadenosine
  • 5'-s-isobutyl-5'-deoxyadenosine
  • 5'-s-isobutylthioadenosine
  • adenosine, 5'-s-(2-methylpropyl)-5'-thio-
  • pdsp1_001035
  • pdsp2_001019
CAS Number(s)
  • 103141-88-4
  • 35899-54-8
InChIKey JDDUQGRUPLKDNT-IDTAVKCVSA-N
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