(3E)-4-{[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]Amino}-3-Penten-1-Yl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C11H20N4O7P2
IUPAC Name [(e)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate
Molecular Mass 382.247 g·mol−1
Heat of Formation -1791.2 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 412.32 Å 3
Surface Area 377.78 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]pent-3-enyl phosphono hydrogen phosphate
  • 4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl phosphono hydrogen phosphate
  • 4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]pent-3-enyl phosphono hydrogen phosphate
  • 4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate
  • [(e)-4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]pent-3-enyl] phosphono hydrogen phosphate
  • [(e)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate
  • [(e)-4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate
  • ayd
InChIKey DPGNBHAKLFOOJK-XBXARRHUSA-N
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