(2S)-2-(5-Fluoro-2,4-Dinitro-Anilino)-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-1-Ium-5-Id-4-Yl]Methylamino]Propanoic Acid

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Properties Simple | Detailed

Formula C17H19FN5O11P
IUPAC Name (2s)-2-(5-fluoro-2,4-dinitro-anilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-5-id-4-yl]methylamino]propanoic acid
Molecular Mass 519.332 g·mol−1
Heat of Formation -1619.2 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 537.01 Å 3
Surface Area 452.66 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey DNMVMVUDVSDLSJ-ZDUSSCGKSA-N
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