1-Deoxy-1-{[N-(3,5-Diacetamido-2,4,6-Triiodobenzoyl)-N-Methylglycyl](Methyl)Amino}-D-Glucitol
Properties
Property | Value |
---|---|
Formula | C21H29I3N4O9 |
IUPAC Name | 3,5-diacetamido-2,4,6-triiodo-n-methyl-n-[2-[methyl-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxo-ethyl]benzamide |
Molecular Mass | 862.190 g·mol−1 |
Heat of Formation | -1461.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.44 ± 1.08 D |
Volume | 696.32 Å 3 |
Surface Area | 478.44 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -1.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | IWLIBARWYNRYQO-SPSJTZSLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |