3'-Deoxy-N-Methyladenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H16N5O6P
IUPAC Name [(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 345.248 g·mol−1
Heat of Formation -1144.8 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 359.04 Å 3
Surface Area 323.04 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 3'-deoxy-n-methyl-
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylamino-9-purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2s,4r,5r)-4-hydroxy-5-(6-methylaminopurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • n(6)-mdaa
  • n(6)-methyl-3'-deoxy-5'-adenylic acid
  • n(6)-methyl-3'-deoxy-5'-amp
CAS Number(s)
  • 4362-94-1
InChIKey XDAJGRLYHTUJCV-MVKOHCKWSA-N
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