6-[(S)-Hydroxy(4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl)Methyl]-2,3-Dimethoxybenzoic Acid

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Properties Simple | Detailed

Formula C22H25NO8
IUPAC Name 6-[(s)-hydroxy-[(5r,6s)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxy-benzoic acid
Molecular Mass 431.436 g·mol−1
Heat of Formation -1091.4 ± 16.7 kJ·mol−1
Dipole Moment 0.74 ± 1.08 D
Volume 484.36 Å 3
Surface Area 392.75 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey VJFNENWSKBLQDJ-MSOLQXFVSA-N
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