Formula |
C26H32N2O8 |
IUPAC Name |
(3r)-7-amino-4,5,6-triethoxy-3-[(5r)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-isobenzofuran-1-one |
Molecular Mass |
500.541 g·mol−1 |
Heat of Formation |
-1094.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.70 ± 1.08 D |
Volume |
580.0 Å 3 |
Surface Area |
453.32 Å 2 |
HOMO Energy |
-8.27 ± 0.55 eV |
LUMO Energy |
2.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (3r)-7-amino-4,5,6-triethoxy-3-[(5r)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-isobenzofuran-1-one
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InChIKey |
IRGJVQIJENCTQF-TZIWHRDSSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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