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

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Properties Simple | Detailed

Formula C13H22N3O7P
IUPAC Name (4r)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
Molecular Mass 363.303 g·mol−1
Heat of Formation -1588.6 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 401.32 Å 3
Surface Area 332.15 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
  • (4r)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid
  • (4r)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
InChIKey WQZRTAINNZJAQI-SNVBAGLBSA-N
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