Physicochemical Properties
| Molecular Formula | C55H102O6 |
| Molecular Weight | 859.395 |
| Exact Mass | 858.767 |
| CAS # | 2190-30-9 |
| PubChem CID | 25240174 |
| Appearance | Typically exists as solid at room temperature |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 802.2±45.0 °C at 760 mmHg |
| Flash Point | 298.4±28.8 °C |
| Vapour Pressure | 0.0±2.8 mmHg at 25°C |
| Index of Refraction | 1.473 |
| LogP | 23.17 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 52 |
| Heavy Atom Count | 61 |
| Complexity | 989 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)=O |
| InChi Key | JFISYPWOVQNHLS-LBXGSASVSA-N |
| InChi Code | InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26- |
| Chemical Name | [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate |
| 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
| Additional Infomation |
1,2-dioleoyl-3-palmitoylglycerol is a triglyceride in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specified as palmitoyl. It is functionally related to a hexadecanoic acid and an oleic acid. 1,2-Dioleoyl-3-palmitoylglycerol has been reported in Celastrus paniculatus with data available. See also: Coix lacryma-jobi seed (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~116.36 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.45 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 12.5 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: 1.25 mg/mL (1.45 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.25 mg/mL (1.45 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 12.5 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 | 1.1636 mL | 5.8180 mL | 11.6360 mL | |
| 5 mM | 0.2327 mL | 1.1636 mL | 2.3272 mL | |
| 10 mM | 0.1164 mL | 0.5818 mL | 1.1636 mL |