[2-(Hydroxymethyl)-3,4-Dimethoxyphenyl](4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl)Methanol
Properties
Property | Value |
---|---|
Formula | C22H27NO7 |
IUPAC Name | (s)-[2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-[(5r,6s)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol |
Molecular Mass | 417.452 g·mol−1 |
Heat of Formation | -915.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.60 ± 1.08 D |
Volume | 477.4 Å 3 |
Surface Area | 395.24 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | 0.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHLLOBXLOWXZDQ-MOPGFXCFSA-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 |