N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-3-(1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Alanine

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Formula C18H21N4O7P
IUPAC Name (2r)-2-[[5-(dihydroxyphosphoryloxymethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-(1h-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Molecular Mass 436.356 g·mol−1
Heat of Formation -1282.8 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 487.47 Å 3
Surface Area 393.36 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey BAIQWXUHBVQAML-HNNXBMFYSA-N
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