Introduction：Basic information about CAS 285979-78-4|1,2,3-Propanetriyl tri(16,16,16-2H3)hexadecanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,3-Propanetriyl tri(16,16,16-2H3)hexadecanoate |
|---|
| CAS Number | 285979-78-4 | Molecular Weight | 816.38 |
|---|
| Density | 0.9±0.1 g/cm3 | Boiling Point | 759.8±27.0 °C at 760 mmHg |
|---|
| Molecular Formula | C51H89D9O6 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 286.1±23.8 °C |
|---|
Names
| Name | glyceryl tri(hexadecanoate-16,16,16-d3) |
|---|
| Synonym | More Synonyms |
|---|
BiologicalActivity
| Description | Propane-1,2,3-triyl tripalmitate-d9-1 is the deuterium labeled Propane-1,2,3-triyl tripalmitate. Propane-1,2,3-triyl tripalmitate is an endogenous metabolite. |
|---|
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
|---|
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |
|---|
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|
| Boiling Point | 759.8±27.0 °C at 760 mmHg |
|---|
| Molecular Formula | C51H89D9O6 |
|---|
| Molecular Weight | 816.38 |
|---|
| Flash Point | 286.1±23.8 °C |
|---|
| Exact Mass | 815.792847 |
|---|
| PSA | 78.90000 |
|---|
| LogP | 22.08 |
|---|
| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.465 |
|---|
| InChIKey | PVNIQBQSYATKKL-GQALSZNTSA-N |
|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
|---|
Synonyms
| 1,2,3-Propanetriyl tri(16,16,16-H)hexadecanoate |
| Hexadecanoic-16,16,16-d acid, 1,2,3-propanetriyl ester |
| Propane-1,2,3-triyl tri(16,16,16-H)hexadecanoate |
