| CAS Number | 128219-85-2 |
| Catalog Number | AG009BI4(AGN-PC-0PIQ1U) |
| Chemical Name | 2'-O-METHYL-I CEP |
| IUPAC Name | 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxy-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile |
| InChI | InChI=1S/C41H49N6O8P/c1-27(2)47(28(3)4)56(53-23-11-22-42)55-36-34(54-40(37(36)51-7)46-26-45-35-38(46)43-25-44-39(35)48)24-52-41(29-12-9-8-10-13-29,30-14-18-32(49-5)19-15-30)31-16-20-33(50-6)21-17-31/h8-10,12-21,25-28,34,36-37,40H,11,23-24H2,1-7H3,(H,43,44,48)/t34-,36-,37-,40-,56?/m1/s1 |
| InChI Key | PVFNTYBGWVZMCX-HLHZJIEZSA-N |
| MDL Number | MFCD08062007 |
| Molecular Formula | C41H49N6O8P |
| Molecular Weight | 784.8369 |
| SMILES | C(C)(C)N(P(O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=2NC=NC(C2N=C1)=O)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)OCCC#N)C(C)C |
| Synonyms | 128219-85-2,
HG1379,
MFCD08062007,
ZINC97974518,
AKOS030621573,
5'-O-DMT-2'-O-methylinosine 3'-CE phosphoramidite,
5'-O-(4,4'-Dimethoxytrityl)-2'-O-methyl-inosine-3'-cyanoethyl phosphoramidite,
2'-O-Methyl-inosine,
2'-O-METHYL-I CEP,
PVFNTYBGWVZMCX-HLHZJIEZSA-N,
2'-O-METHYL-5'-O-DMT-INOSINE-3'-CE-PHOSPHORAMIDITE,
3881-21-8,
|
| Complexity | 1280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 784.335g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 784.851g/mol |
| Monoisotopic Mass | 784.335g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number