(2R)-1-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]-2-Propanyl Dihydrogen Phosphate

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Formula C11H20N2O9P2
IUPAC Name [(1r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-methyl-ethyl] dihydrogen phosphate
Molecular Mass 386.232 g·mol−1
Heat of Formation -2195.7 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 406.64 Å 3
Surface Area 358.84 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 33p
  • [(1r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-methyl-ethyl] dihydrogen phosphate
  • [(1r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-methylethyl] dihydrogen phosphate
  • [(2r)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propan-2-yl] dihydrogen phosphate
  • {3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
InChIKey JMZWWHLIKAYMPJ-SSDOTTSWSA-N
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