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

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Properties Simple | Detailed

Formula C13H22N3O7P
IUPAC Name (4s)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
Molecular Mass 363.303 g·mol−1
Heat of Formation -1541.0 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 413.19 Å 3
Surface Area 377.18 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
  • (4s)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
  • (4s)-4-amino-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid
  • ea5
InChIKey DSCJVPXIMLLBAH-JTQLQIEISA-N
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