5'-S-Methyl-5'-Thioinosine

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Properties Simple | Detailed

Formula C11H14N4O4S
IUPAC Name 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-(methylsulfanylmethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 298.318 g·mol−1
Heat of Formation -414.8 ± 16.7 kJ·mol−1
Dipole Moment 13.09 ± 1.08 D
Volume 323.24 Å 3
Surface Area 286.85 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-deoxy-5'-methylthioinosine
  • 5'-methylthioinosine
  • 5-dmti
  • 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-(methylsulfanylmethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(methylthio)methyl]-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(methylthio)methyl]tetrahydrofuran-2-yl]-3h-purin-6-one
  • inosine, 5'-s-methyl-5'-thio-
CAS Number(s)
  • 17298-58-7
InChIKey GXYLOXCSJFJFKA-IOSLPCCCSA-N
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