4-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-Butyric Acid

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Properties Simple | Detailed

Formula C12H19N2O7P
IUPAC Name 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid
Molecular Mass 334.262 g·mol−1
Heat of Formation -1567.9 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 361.74 Å 3
Surface Area 306.18 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butyric acid
  • 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid
  • plz
InChIKey DOHWOHSLOVXAFH-UHFFFAOYSA-N
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