Physicochemical Properties
Molecular Formula | C50H68N7O9PSI |
Molecular Weight | 970.18 |
Exact Mass | 969.458 |
CAS # | 147201-04-5 |
PubChem CID | 135587729 |
Appearance | Solid powder |
LogP | 12.44 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 22 |
Heavy Atom Count | 68 |
Complexity | 1690 |
Defined Atom Stereocenter Count | 4 |
SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)O[Si](C)(C)C(C)(C)C |
InChi Key | PGJKESPHANLWME-FTZVBZPOSA-N |
InChi Code | InChI=1S/C50H68N7O9PSi/c1-32(2)45(58)54-48-53-44-41(46(59)55-48)52-31-56(44)47-43(66-68(12,13)49(7,8)9)42(65-67(63-29-17-28-51)57(33(3)4)34(5)6)40(64-47)30-62-50(35-18-15-14-16-19-35,36-20-24-38(60-10)25-21-36)37-22-26-39(61-11)27-23-37/h14-16,18-27,31-34,40,42-43,47H,17,29-30H2,1-13H3,(H2,53,54,55,58,59)/t40-,42-,43-,47-,67?/m1/s1 |
Chemical Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
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
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (103.07 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.58 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 | 1.0307 mL | 5.1537 mL | 10.3074 mL | |
5 mM | 0.2061 mL | 1.0307 mL | 2.0615 mL | |
10 mM | 0.1031 mL | 0.5154 mL | 1.0307 mL |