(3R)-7-Amino-4,5,6-Triethoxy-3-[(5R)-4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-2-Benzofuran-1(3H)-One

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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
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
InChIKey IRGJVQIJENCTQF-TZIWHRDSSA-N
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