3-[(1'R,3'S)-5'-Chloro-4-Methoxyspiro[1,2-Dioxetane-3,2'-Tricyclo[3.3.1.1~3,7~]Decan]-4-Yl]Phenyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H22ClO7P |
| IUPAC Name | [3-[(3r,3's,5s)-1-chloro-3'-methoxy-spiro[adamantane-4,4'-dioxetane]-3'-yl]phenyl] dihydrogen phosphate |
| Molecular Mass | 416.790 g·mol−1 |
| Heat of Formation | -1261.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.78 ± 1.08 D |
| Volume | 439.86 Å 3 |
| Surface Area | 337.11 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -0.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QWXOJIDBSHLIFI-JMJCZNCSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O Cl |