Physicochemical Properties
| Molecular Formula | C20H13O4P |
| Molecular Weight | 348.29 |
| Exact Mass | 348.055 |
| CAS # | 39648-67-4 |
| PubChem CID | 99589 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 619.5±38.0 °C at 760 mmHg |
| Melting Point | >300ºC |
| Flash Point | 328.5±26.8 °C |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.763 |
| LogP | 3.99 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 25 |
| Complexity | 508 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | JEHUZVBIUCAMRZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22) |
| Chemical Name | 13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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 | In hydrocarboxylation processes, chiral ligands such as (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate are employed. participates in asymmetric dipolar cycloadditions of diazo compounds by forming complexes with rhodium. With the help of this chiral acid, numerous racial amines that had proven challenging to separate have been resolved. Relative to rhodium, palladium derivatives have been employed in dipolar cycloaddition processes and in asymmetric hydrocarboxylation reactions. For chiral enantioselective Mannich processes, employing Bronsted acid as the catalyst. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (287.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.18 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 (7.18 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.18 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 | 2.8712 mL | 14.3559 mL | 28.7117 mL | |
| 5 mM | 0.5742 mL | 2.8712 mL | 5.7423 mL | |
| 10 mM | 0.2871 mL | 1.4356 mL | 2.8712 mL |