2-Thioxo-2-Hydroadenosine

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Properties Simple | Detailed

Formula C10H14N5O4S
IUPAC Name 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purine-3,7-diium-6-ide-2-thione
Molecular Mass 300.314 g·mol−1
Heat of Formation -404.9 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 316.03 Å 3
Surface Area 283.99 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thioadenosine
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-purine-2-thione
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-purine-2-thione
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purine-2-thione
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-purine-2-thione
  • adenosine, 1,2-dihydro-2-thioxo-
CAS Number(s)
  • 43157-50-2
InChIKey LTESOZAUMTUKQX-UUOKFMHZSA-N
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