2-Amino-1-Methyl-9-(5-O-Phosphono-β-D-Ribofuranosyl)-1,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C11H16N5O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-1-methyl-6-thioxo-8h-purine-2,3,4,5,7,8-hexaid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 393.313 g·mol−1
Heat of Formation -1232.2 ± 16.7 kJ·mol−1
Dipole Moment 9.10 ± 1.08 D
Volume 400.7 Å 3
Surface Area 346.97 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-guanylic acid, 1-methyl-6-thio-, homopolymer
  • [(2r,3s,4r,5r)-5-(2-amino-1-methyl-6-sulfanylidene-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-methyl-6-thioxo-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-methyl-6-thioxo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(1-methyl-6-thioguanylic acid)
CAS Number(s)
  • 65256-79-3
InChIKey YHQQBFWWLQQMMX-FJGDRVTGSA-N
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