(1S)-4-O-Acetyl-1,5-Anhydro-3,6-Dideoxy-3-(Dimethylnitroryl)-1-(1-Hydroxy-10,12-Dimethoxy-6-Oxo-8-Vinyl-6H-Dibenzo[C,H]Chromen-4-Yl)-D-Galactitol
Properties
Property | Value |
---|---|
Formula | C31H33NO10 |
IUPAC Name | (2s,3s,4s,5s,6r)-5-acetoxy-3-hydroxy-2-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-naphtho[1,2-c]isochromen-4-yl)-n,n,6-trimethyl-tetrahydropyran-4-amine oxide |
Molecular Mass | 579.594 g·mol−1 |
Heat of Formation | -1241.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.33 ± 1.08 D |
Volume | 651.09 Å 3 |
Surface Area | 503.03 Å 2 |
HOMO Energy | -8.32 ± 0.55 eV |
LUMO Energy | 1.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | JDRNEUMZVBWRJJ-CXDINUQGSA-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 |