| CAS Number | 251647-54-8 |
| Catalog Number | AG00BE4V(AGN-PC-0R0WQV) |
| Chemical Name | N4-Benzoyl-5'-O-DMT-2'-O-methyl-5-methylcytidine 3'-CE phosphoramidite |
| IUPAC Name | N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| InChI | InChI=1S/C49H58N5O10P/c1-34(2)54(35(3)4)65(62-30-14-28-50)64-44-42(63-47(45(44)60-32-31-57-5)53-29-27-43(52-48(53)56)51-46(55)36-15-10-8-11-16-36)33-61-49(37-17-12-9-13-18-37,38-19-23-40(58-6)24-20-38)39-21-25-41(59-7)26-22-39/h8-13,15-27,29,34-35,42,44-45,47H,14,30-33H2,1-7H3,(H,51,52,55,56)/t42-,44-,45-,47-,65?/m1/s1 |
| InChI Key | IAFVTVZPQIFRAU-NXPFYNPLSA-N |
| MDL Number | MFCD15145377 |
| Molecular Formula | C49H58N5O10P |
| Molecular Weight | 907.9861 |
| SMILES | CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n2ccc(nc2=O)NC(=O)c3ccccc3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC |
| Synonyms | N4-Acetyl-5-methyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-methyl-5-Methylcytidine-3'- CE-cyanoethyl Phosphoramidite,
251647-54-8,
AKOS030621572,
|
| Complexity | 1550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 907.392g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 65 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 908.002g/mol |
| Monoisotopic Mass | 907.392g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 163A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number