2-({3-Acetamido-5-[Acetyl(Methyl)Amino]-2,4,6-Triiodobenzoyl}Amino)-2-Deoxyhexopyranose
Properties
Property | Value |
---|---|
Formula | C18H22I3N3O8 |
IUPAC Name | 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-n-[(2s,3r,4r,5s,6s)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide |
Molecular Mass | 789.096 g·mol−1 |
Heat of Formation | -1191.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.36 ± 1.08 D |
Volume | 592.68 Å 3 |
Surface Area | 443.3 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -1.35 ± eV |
Point Group Symmetry | C1 |
InChIKey | BAQCROVBDNBEEB-FLURCTDBSA-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 |