96998-00-4
| Name | 4,7,10,13,16,19-Docosahexaenoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- |
| CAS | 96998-00-4 |
| Molecular Formula | C43H74NO8P |
| Molecular Weight | 764.02 |
| MOL File | 96998-00-4.mol |
Chemical Properties
| Boiling point | 775.3±70.0 °C(Predicted) |
| density | 1.024±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | Chloroform: 10 mg/ml |
| form | liquid |
| pka | 1.17±0.50(Predicted) |
| InChIKey | MPWUZHVZZKSTPV-MADBQMNMSA-N |
| SMILES | [H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=O |
Safety Data
| Symbol(GHS) |      GHS02,GHS06,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| WGK Germany | WGK 3 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 4 Oral Aquatic Chronic 3 Carc. 2 Eye Irrit. 2 Repr. 2 Skin Irrit. 2 STOT RE 1 STOT SE 3 |