Physicochemical Properties
| Molecular Formula | C16H29D3O2 |
| Molecular Weight | 259.44 |
| Exact Mass | 256.24 |
| CAS # | 75736-53-7 |
| Related CAS # | Palmitic acid;57-10-3;Palmitic acid sodium;408-35-5 |
| PubChem CID | 12358530 |
| Appearance | White to off-white solid powder |
| Density | 0.862 g/cm3 at 25 °C |
| Boiling Point | 271.5 °C(lit.) at 100 mmHg |
| Melting Point | 61-64 °C |
| LogP | 5.552 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 18 |
| Complexity | 178 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [2H]C([2H])([2H])CCCCCCCCCCCCCCC(=O)O |
| InChi Key | IPCSVZSSVZVIGE-FIBGUPNXSA-N |
| InChi Code | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3 |
| Chemical Name | 16,16,16-trideuteriohexadecanoic acid |
| Synonyms | palmitic acid d3 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1]. |
| References |
[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Antitumor activity of palmitic acid found as a selective cytotoxic substance in a marine red alga. Anticancer Res. 2002 Sep-Oct;22(5):2587-90. |
| Additional Infomation | Palmitic acid(d3) is a long-chain fatty acid and a deuterated fatty acid. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (385.45 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.64 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.64 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8545 mL | 19.2723 mL | 38.5446 mL | |
| 5 mM | 0.7709 mL | 3.8545 mL | 7.7089 mL | |
| 10 mM | 0.3854 mL | 1.9272 mL | 3.8545 mL |