5'-O-Methyladenosine 3'-(Trihydrogen Diphosphate)

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Formula C11H17N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 441.228 g·mol−1
Heat of Formation -2150.2 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 432.48 Å 3
Surface Area 362.9 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-c-methyladenosine diphosphate
  • 3-meadp
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(methoxymethyl)-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), 3'-c-methyl-
CAS Number(s)
  • 148253-84-3
InChIKey DXBLUALDQQDGLM-IOSLPCCCSA-N
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