Physicochemical Properties
| Molecular Formula | C16HD31O2 |
| Molecular Weight | 287.62 |
| Exact Mass | 256.24 |
| CAS # | 39756-30-4 |
| Related CAS # | Palmitic acid;57-10-3;Palmitic acid sodium;408-35-5;Palmitic acid-d2;62689-96-7;Palmitic acid-15,15,16,16,16-d5;285979-77-3 |
| PubChem CID | 16212358 |
| Appearance | White to off-white solid powder |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 340.6±5.0 °C at 760 mmHg |
| Melting Point | 61-64ºC(lit.) |
| Flash Point | 154.1±12.5 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.454 |
| LogP | 7.15 |
| 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])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O |
| InChi Key | IPCSVZSSVZVIGE-SAQPIRCFSA-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)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2 |
| Chemical Name | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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Infomation | Palmitic acid-d31 is a C16 straight-chain saturated fatty acid where the aliphatic hydrogens have been replaced by deuterium atoms. It is a deuterated fatty acid, a long-chain fatty acid and a straight-chain saturated fatty acid. It is functionally related to a hexadecanoic acid. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (347.68 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.69 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 | 3.4768 mL | 17.3840 mL | 34.7681 mL | |
| 5 mM | 0.6954 mL | 3.4768 mL | 6.9536 mL | |
| 10 mM | 0.3477 mL | 1.7384 mL | 3.4768 mL |