(2S)-2-Amino-4-{Hydroxy[Hydroxy(4-Hydroxy-3-Methoxy-5-Nitrophenyl)Methyl]Phosphoryl}Butanoic Acid

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Formula C12H17N2O9P
IUPAC Name (2s)-2-amino-4-[hydroxy-[(r)-hydroxy-(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]phosphoryl]butanoic acid
Molecular Mass 364.245 g·mol−1
Heat of Formation -1371.5 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 388.24 Å 3
Surface Area 324.27 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey PEXVMHLARUAHNC-JVXZTZIISA-N
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