Physicochemical Properties
| Molecular Formula | C42H52N5O8P |
| Molecular Weight | 785.864751815796 |
| Exact Mass | 785.355 |
| CAS # | 1873306-74-1 |
| PubChem CID | 117064363 |
| Appearance | White to off-white solid powder |
| LogP | 8.32 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 56 |
| Complexity | 1360 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CC1=CN(C(=O)N=C1NC(=O)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| InChi Key | YFUQEQDYBKCNTE-CMFYRTQUSA-N |
| InChi Code | InChI=1S/C42H52N5O8P/c1-28(2)47(29(3)4)56(53-24-12-23-43)55-37-25-39(46-26-30(5)40(44-31(6)48)45-41(46)49)54-38(37)27-52-42(32-13-10-9-11-14-32,33-15-19-35(50-7)20-16-33)34-17-21-36(51-8)22-18-34/h9-11,13-22,26,28-29,37-39H,12,24-25,27H2,1-8H3,(H,44,45,48,49)/t37-,38+,39+,56?/m0/s1 |
| Chemical Name | N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. Turner J. Spermine Phosphoramidite: A potent modification with many applications. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~127.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.18 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 | 1.2725 mL | 6.3625 mL | 12.7249 mL | |
| 5 mM | 0.2545 mL | 1.2725 mL | 2.5450 mL | |
| 10 mM | 0.1272 mL | 0.6362 mL | 1.2725 mL |