3-(β-D-Glucopyranuronosyloxy)Benzo[Pqr]Tetraphen-6-Yl D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C32H28O14 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[6-[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 636.556 g·mol−1 |
| Heat of Formation | -2122.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.12 ± 1.08 D |
| Volume | 674.39 Å 3 |
| Surface Area | 530.02 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | -1.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XJZJSOOVGHURSS-HLDNESRHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |