(2S,3S,4S,5R)-6-(4-{4-[(2S)-2-Amino-2-Carboxyethyl]-2,6-Diiodophenoxy}-2,6-Diiodophenoxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H19I4NO10 |
IUPAC Name | (2s)-3-[4-[4-[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,5-diiodo-phenoxy]-3,5-diiodo-benzene-2,6-diid-1-yl]-2-λ1-azanyl-propanoate |
Molecular Mass | 952.994 g·mol−1 |
Heat of Formation | -1263.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.23 ± 1.08 D |
Volume | 675.15 Å 3 |
Surface Area | 488.2 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | 2.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | RGHRJBIKIYUHEV-OBOXGAGSSA-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 |