2-(Methylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H16N5O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 393.313 g·mol−1
Heat of Formation -1344.1 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 399.21 Å 3
Surface Area 330.49 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 2-(methylthio)-, homopolymer
  • [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(methylthio)-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(methylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2'-methylthioadenylic acid)
CAS Number(s)
  • 70804-88-5
InChIKey XVTFTCNRRAQHEQ-KQYNXXCUSA-N
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