Methyl 5-[Hydroxy(6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl)Methyl]-1,3-Benzodioxole-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21NO7
IUPAC Name methyl 5-[(r)-hydroxy-[(5r,6s)-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-1,3-benzodioxole-4-carboxylate
Molecular Mass 399.394 g·mol−1
Heat of Formation -884.4 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 441.08 Å 3
Surface Area 336.77 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey DYXUHSYICPYLBB-RTBURBONSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N