N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-2-Methyl-L-Aspartic Acid

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Properties Simple | Detailed

Formula C13H19N2O9P
IUPAC Name (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-butanedioic acid
Molecular Mass 378.272 g·mol−1
Heat of Formation -1951.7 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 406.22 Å 3
Surface Area 332.69 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-butanedioic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-succinic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methylbutanedioic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-2-methyl-butanedioic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-2-methylbutanedioic acid
  • 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
  • ama
  • n-pyridoxyl-2-methylaspartic acid-5-monophosphate
  • pla
InChIKey ZFKRUCNEKPIDBK-ZDUSSCGKSA-N
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