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

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Properties Simple | Detailed

Formula C13H22N3O7P
IUPAC Name (2r)-5-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
Molecular Mass 363.303 g·mol−1
Heat of Formation -1561.4 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 408.26 Å 3
Surface Area 348.22 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
  • (2r)-5-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid
  • (2r)-5-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
  • n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine
  • orx
InChIKey OIRLUPUXIUAWOH-LLVKDONJSA-N
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