2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]Acrylic Acid

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Properties Simple | Detailed

Formula C11H15N2O7P
IUPAC Name 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]prop-2-enoic acid
Molecular Mass 318.220 g·mol−1
Heat of Formation -1413.6 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 342.53 Å 3
Surface Area 306.28 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]acrylic acid
  • 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]prop-2-enoic acid
  • p1t
InChIKey BXUDKFHCAMQSRX-UHFFFAOYSA-N
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