Physicochemical Properties
| Molecular Formula | C44H86NO11P |
| Molecular Weight | 836.127516269684 |
| Exact Mass | 835.593 |
| CAS # | 892144-24-0 |
| Related CAS # | DSPE-PEG;145035-96-7 |
| PubChem CID | 122632359 |
| Appearance | White to off-white solid powder |
| LogP | 14.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 47 |
| Heavy Atom Count | 57 |
| Complexity | 971 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | P(=O)(O)(OCCNC(=O)OCCO)OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O |
| InChi Key | BPZILUVAHZTEEE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C44H86NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(47)53-39-41(40-55-57(50,51)54-37-35-45-44(49)52-38-36-46)56-43(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,46H,3-40H2,1-2H3,(H,45,49)(H,50,51) |
| Chemical Name | [3-[hydroxy-[2-(2-hydroxyethoxycarbonylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate |
| 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
| References |
[1]. Effect of the lipid chain melting transition on the stability of DSPE-PEG(2000) micelles. Langmuir. 2009 Jul 7;25(13):7279-86. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~71.43 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (Infinity 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 (Infinity mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1960 mL | 5.9799 mL | 11.9599 mL | |
| 5 mM | 0.2392 mL | 1.1960 mL | 2.3920 mL | |
| 10 mM | 0.1196 mL | 0.5980 mL | 1.1960 mL |