2-(Methylsulfanyl)Adenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C11H17N5O10P2S
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 phosphono hydrogen phosphate
Molecular Mass 473.293 g·mol−1
Heat of Formation -2207.6 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 457.5 Å 3
Surface Area 380.78 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (3h)2-mes-adp
  • 2-mes-adp
  • 2-mesadp
  • [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(methylthio)-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-amino-2-(methylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), 2-(methylthio)-
  • methylthio-adenosine diphosphate
  • methylthio-adp
CAS Number(s)
  • 34983-48-7
  • 41036-37-7
InChIKey WLMZTKAZJUWXCB-KQYNXXCUSA-N
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