| CAS Number | 251647-53-7 |
| Catalog Number | AG00BIJC(AGN-PC-0R0WQD) |
| Chemical Name | 2'-O-MOE-A(Bz)-3'-phosphoramidite |
| IUPAC Name | N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]purin-6-yl]benzamide |
| InChI | InChI=1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)39-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26,32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58) |
| InChI Key | VPBYBQBHLYRLHG-UHFFFAOYSA-N |
| MDL Number | MFCD29472587 |
| Molecular Formula | C50H58N7O9P |
| Molecular Weight | 932.0108 |
| SMILES | C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@](O1)(N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)[H])(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7 |
| Synonyms | 251647-53-7,
(2R,3R,4R,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(2-methoxyethoxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite,
N-[9-[(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]purin-6-yl]benzamide,
|
| Complexity | 1490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 931.403g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 67 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 932.028g/mol |
| Monoisotopic Mass | 931.403g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
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Certificate of Analysis
Lot Number