1,5-Anhydro-2-O-(3,4,5-Trihydroxybenzoyl)-D-Glucitol
Properties
Property | Value |
---|---|
Formula | C13H16O9 |
IUPAC Name | [(3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate |
Molecular Mass | 316.261 g·mol−1 |
Heat of Formation | -1516.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.87 ± 1.08 D |
Volume | 337.46 Å 3 |
Surface Area | 306.68 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | -0.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | JSUKXSPCKOKNJD-RBLKWDMZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |