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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |