1-O-[2-(3-Amino-2,4,6-Triiodobenzyl)Butanoyl]-β-D-Glucopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C17H20I3NO8 |
IUPAC Name | (2s,3s,4s,5r,6s)-6-[(2s)-2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 747.056 g·mol−1 |
Heat of Formation | -1195.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.14 ± 1.08 D |
Volume | 543.76 Å 3 |
Surface Area | 425.58 Å 2 |
HOMO Energy | -8.44 ± 0.55 eV |
LUMO Energy | -0.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | UGUPACZOZNCKIV-AKKZNMGFSA-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 |