2-{4-[Hydroxy(Methoxy)Methyl]Benzyl}-7-[4-(Hydroxymethyl)Benzyl]-3,6-Bis(Phenoxymethyl)-1,2,7-Thiadiazepane-4,5-Diol 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C35H40N2O9S |
| IUPAC Name | (3r,4s,5s,6r)-2-[[4-[(s)-hydroxy(methoxy)methyl]phenyl]methyl]-7-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol |
| Molecular Mass | 664.765 g·mol−1 |
| Heat of Formation | -1140.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.73 ± 1.08 D |
| Volume | 753.57 Å 3 |
| Surface Area | 583.17 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XLJNZONSWKENRP-VABIIVNOSA-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 |