N-[(2E)-4-Hydroxy-3-Methyl-2-Buten-1-Yl]-2-(Methylsulfanyl)Adenosine

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Properties Simple | Detailed

Formula C16H23N5O5S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(e)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-ium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 397.449 g·mol−1
Heat of Formation -621.7 ± 16.7 kJ·mol−1
Dipole Moment 0.59 ± 1.08 D
Volume 455.56 Å 3
Surface Area 389.2 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[[(e)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(e)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(e)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(e)-4-hydroxy-3-methylbut-2-enyl]amino]-2-(methylthio)-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[[(e)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
  • 2-methylthio-cis-ribozeatin
  • 2-methylthio-n(6)-(4-hydroxyisopentenyl)adenosine
  • 2-methylthioribosylzeatin
  • 2-methylthiozeatin riboside
  • adenosine, n-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-
  • n(6)-(4-hydroxyisopentenyl)-2-methylthioadenosine
CAS Number(s)
  • 26190-61-4
InChIKey QEWSGVMSLPHELX-LECLTHIMSA-N
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