2-Methylthio-N(6)-(Delta(2)-Isopentenyl)Adenosine

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Properties Simple | Detailed

Formula C16H23N5O4S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-ium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 381.450 g·mol−1
Heat of Formation -479.1 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 441.69 Å 3
Surface Area 376.73 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-(3-methylbut-2-enylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-(methylthio)-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
  • 2-methyl-thio-n-6-isopentyladenosine
  • 2-methylthio-n(6)-isopentenyladenosine
  • 2-methylthio-n-6-isopentenyladenosine
  • 2-mtia
  • adenosine, n-(3-methyl-2-butenyl)-2-(methylthio)-
  • n(6)-(delta(2)-isopentenyl)-2-methylthioadenosine
  • n-(3-methyl-2-butenyl)-2-(methylthio)adenosine
CAS Number(s)
  • 20859-00-1
InChIKey VZQXUWKZDSEQRR-SDBHATRESA-N
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