8-Thioxoguanosine

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Properties Simple | Detailed

Formula C10H13N5O5S
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-3,7-dihydropurin-6-one
Molecular Mass 315.306 g·mol−1
Heat of Formation -634.3 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 323.79 Å 3
Surface Area 278.3 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-8-thioxo-3,7-dihydropurin-6-one
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-3,7-dihydropurin-6-one
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-3,7-dihydropurin-6-one
  • 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-8-thioxo-3,7-dihydropurin-6-one
  • 7,8-dihydro-8-thioxoguanosine
  • 8-thioguanosine
CAS Number(s)
  • 29836-03-1
InChIKey KZELNMSPWPFAEB-UMMCILCDSA-N
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