4-[(Z)-(3',6'-Dihydroxy-5-Isothiocyanato-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-Ylidene)Amino]Estra-1,3,5(10)-Triene-3,17-Diol
Properties
| Property | Value |
|---|---|
| Formula | C39H34N2O6S |
| IUPAC Name | (3z)-3-[[(8r,9r,13r,14r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]imino]-5-isothiocyanato-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diol |
| Molecular Mass | 658.762 g·mol−1 |
| Heat of Formation | 4538.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.19 ± 1.08 D |
| Volume | 635.47 Å 3 |
| Surface Area | 534.11 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -2.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KBKXIPOFJKAJGG-WHHYBNTRSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |