1-O-[3-(5-Carboxy-2-Pyridinyl)-5-Fluorophenyl]-6-O-[4-({[(5-Carboxy-2-Pyridinyl)Sulfanyl]Acetyl}Amino)-2-Chloro-5-Methoxyphenyl]-D-Mannitol
Properties
| Property | Value |
|---|---|
| Formula | C33H31ClFN3O12S |
| IUPAC Name | 6-[3-[6-[4-[[2-[(5-carboxy-2-pyridyl)sulfanyl]acetyl]amino]-2-chloro-5-methoxy-phenoxy]-2,3,4,5-tetrahydroxy-hexoxy]-5-fluoro-phenyl]pyridine-3-carboxylic acid |
| Molecular Mass | 748.129 g·mol−1 |
| Heat of Formation | -1924.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.62 ± 1.08 D |
| Volume | 799.67 Å 3 |
| Surface Area | 704.76 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -1.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HTDBANWISVPXTR-KWINWIPXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H F O N S |