Thioinosinic Acid

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Properties Simple | Detailed

Formula C10H14N4O7PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 365.280 g·mol−1
Heat of Formation -1210.6 ± 16.7 kJ·mol−1
Dipole Moment 12.87 ± 1.08 D
Volume 359.79 Å 3
Surface Area 309.54 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 6-thio- (9ci)
  • 6-thioinosine 5'-phosphate (van)
  • 9-(5-phospho-1-ribofuranosyl)-6-mercaptopurine
  • 9h-purine-6-thiol, 9-beta-d-ribofuranosyl-, 5'-(dihydrogen phosphate) (8ci)
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-sulfanylidene-3h-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-thioxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 2133-82-6
  • 13015-61-7
  • 1674-85-7
InChIKey ZKRFOXLVOKTUTA-KQYNXXCUSA-N
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