1-O-(2-Iodobenzoyl)-β-D-Glucopyranuronic Acid
Properties
Property | Value |
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Formula | C13H13IO8 |
IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-iodobenzoyl)oxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 424.142 g·mol−1 |
Heat of Formation | -1240.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.70 ± 1.08 D |
Volume | 361.46 Å 3 |
Surface Area | 308.07 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -0.68 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | JIYIBTDVKFKHFY-UNLLLRGISA-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 |