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

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Formula C14H23N2O7P
IUPAC Name (2r,3s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-methyl-pentanoic acid
Molecular Mass 362.315 g·mol−1
Heat of Formation -1575.5 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 413.7 Å 3
Surface Area 359.31 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey GZZDWFDWHXPWJK-QPUJVOFHSA-N
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