(2R,3R,4R,5R)-2-(2-Amino-7-Methyl-6-Thioxo-6,7-Dihydro-3H-Purin-9-Ium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanolate

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Properties Simple | Detailed

Formula C11H17N5O4S
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-8h-purine-1,3-diium-5,8-diide-6-thione
Molecular Mass 315.349 g·mol−1
Heat of Formation -398.1 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 337.4 Å 3
Surface Area 296.32 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(2-amino-7-methyl-6-sulfanylidene-3h-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
  • (2r,3r,4s,5r)-2-(2-amino-7-methyl-6-thioxo-3h-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranolate
  • (2r,3r,4s,5r)-2-(2-amino-7-methyl-6-thioxo-3h-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate
  • (2r,3r,4s,5r)-2-(2-amino-7-methyl-6-thioxo-3h-purin-9-ium-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-olate
  • 1h-purinium, 2-amino-6,9-dihydro-7-methyl-9-beta-d-ribofuranosyl-6-thioxo-, hydroxide, inner salt
  • 2-amino-6,9-dihydro-7-methyl-9-beta-d-ribofuranosyl-6-thioxo-1h-purinium hydroxide, inner salt
  • 2-amino-6-mercapto-7-methylpurine ribonucleoside
  • 6-mercapto-7-methylguanosine
  • mesg
CAS Number(s)
  • 55727-10-1
InChIKey JZOJDNSUWURGIR-KQYNXXCUSA-N
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