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

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Properties Simple | Detailed

Formula C11H15N4O7PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-thioxo-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 378.298 g·mol−1
Heat of Formation -1235.1 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 387.13 Å 3
Surface Area 336.69 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 1-methyl-6-thio-, homopolymer
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-sulfanylidene-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-sulfanylidenepurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-thioxo-9-purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-thioxo-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly m1s6i
  • poly(1-methyl-6-thioinosinic acid)
  • poly(m(1)s(6)i)
CAS Number(s)
  • 59911-56-7
InChIKey HCARGLJVVIPUHU-VPCXQMTMSA-N
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