Formula |
C17H18FN2O8P |
IUPAC Name |
(2e)-3-(3-fluoro-4-hydroxy-phenyl)-2-[(z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-1h-pyridin-4-ylidene]methyl]imino-propanoic acid |
Molecular Mass |
428.306 g·mol−1 |
Heat of Formation |
612.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.83 ± 1.08 D |
Volume |
379.32 Å 3 |
Surface Area |
324.51 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AWZHPOMIAYWMIB-ALAGMBGBSA-N |
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Links |
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Elements |
P
C
N
O
F
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