4-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]Thiophene-2-Carboxylic Acid

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Formula C13H15N2O7PS
IUPAC Name 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]thiophene-2-carboxylic acid
Molecular Mass 374.306 g·mol−1
Heat of Formation -1368.1 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 394.36 Å 3
Surface Area 347.02 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-thenoic acid
  • 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-thiophenecarboxylic acid
  • 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]thiophene-2-carboxylic acid
  • psz
InChIKey SUKBSASAEROGCJ-UHFFFAOYSA-N
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