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

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Formula C12H19N2O7P
IUPAC Name (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid
Molecular Mass 334.262 g·mol−1
Heat of Formation -1526.8 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 372.34 Å 3
Surface Area 328.2 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butyric acid
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid
InChIKey VRMPGTOTVVJQMU-SNVBAGLBSA-N
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