N~2~-Acetyl-N~5~-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-L-Ornithine

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Properties Simple | Detailed

Formula C15H24N3O8P
IUPAC Name (2s)-2-acetamido-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
Molecular Mass 405.340 g·mol−1
Heat of Formation -1759.2 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 465.99 Å 3
Surface Area 399.11 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
  • (2s)-2-acetamido-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid
  • (2s)-2-acetamido-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
  • n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine
  • poi
InChIKey QIZZUQLTAZUUFQ-ZDUSSCGKSA-N
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