1-O-[(5-Chloro-1,3,3A,12B-Tetrahydro-2H-Dibenzo[2,3:6,7]Oxepino[4,5-C]Pyrrol-2-Yl)Carbonyl]-β-D-Glucopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H22ClNO9 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[(2s,6r)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene-4-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 491.875 g·mol−1 |
| Heat of Formation | -1398.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.00 ± 1.08 D |
| Volume | 521.19 Å 3 |
| Surface Area | 406.93 Å 2 |
| HOMO Energy | -9.23 ± 0.55 eV |
| LUMO Energy | -0.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MONYWLCNIOIULX-XWWIQMDLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |