{4-[(2R,4S,5R,6R)-2-[4-(Aminomethyl)Phenyl]-6-{[(4,5-Diphenyl-1,3-Oxazol-2-Yl)Sulfanyl]Methyl}-5-Phenyl-1,3-Dioxan-4-Yl]Phenyl}Methanol
Properties
| Property | Value |
|---|---|
| Formula | C40H36N2O4S |
| IUPAC Name | [4-[(2r,4s,5r,6r)-2-[4-(aminomethyl)phenyl]-6-[(4,5-diphenyloxazol-3-ium-5-id-2-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-4-yl]phenyl]methanol |
| Molecular Mass | 640.790 g·mol−1 |
| Heat of Formation | -52.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.63 ± 1.08 D |
| Volume | 772.35 Å 3 |
| Surface Area | 571.98 Å 2 |
| HOMO Energy | -8.21 ± 0.55 eV |
| LUMO Energy | -0.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SXPUZKZLGVDJCU-KPJXUMIYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |