(5E)-Calcipotriene
- Product Name(5E)-Calcipotriene
- CAS113082-99-8
- MFC27H40O3
- MW412.61
- EINECS
- MOL File113082-99-8.mol
Chemical Properties
| Boiling point | 582.0±50.0 °C(Predicted) |
| Density | 1.12 |
| storage temp. | 4°C, protect from light, stored under nitrogen |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 14.29±0.20(Predicted) |
| form | Solid |
| color | White to Off-White |
| Stability | Light Sensitive, Temperature Sensitive |
| Major Application | pharmaceutical (small molecule) |
| InChIKey | LWQQLNNNIPYSNX-LFDOYIGJSA-N |
| SMILES | [C@H]1(O)C/C(=C\C=C2/CCC[C@@]3(C)[C@@]/2([H])CC[C@@H]3[C@H](C)/C=C/[C@H](C2CC2)O)/C(=C)[C@@H](O)C1 |
Safety Information
| WGK Germany | WGK 3 |
| HS Code | 2906195000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral |
