Formula |
C27H30O9 |
IUPAC Name |
7-[(2s)-3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid |
Molecular Mass |
498.522 g·mol−1 |
Heat of Formation |
-1484.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.31 ± 1.08 D |
Volume |
582.13 Å 3 |
Surface Area |
413.18 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LMQBMWHHGVZWMR-INIZCTEOSA-N |
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Elements |
H
C
O
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