| CAS Number | 105931-57-5 |
| Catalog Number | AG008SOA(AGN-PC-0OVDCB) |
| Chemical Name | 5'-O-(4,4'-DIMETHOXYTRITYL)-5-METHYL-N4-BENZOYL-2'-DEOXYCYTIDINE-3'-(2-CYANOETHYL-N,N-DIISOPROPYL)PHOSPHORAMIDITE |
| IUPAC 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]benzamide |
| InChI | InChI=1S/C47H54N5O8P/c1-32(2)52(33(3)4)61(58-28-14-27-48)60-41-29-43(51-30-34(5)44(50-46(51)54)49-45(53)35-15-10-8-11-16-35)59-42(41)31-57-47(36-17-12-9-13-18-36,37-19-23-39(55-6)24-20-37)38-21-25-40(56-7)26-22-38/h8-13,15-26,30,32-33,41-43H,14,28-29,31H2,1-7H3,(H,49,50,53,54)/t41-,42+,43+,61?/m0/s1 |
| InChI Key | AGMUHEZFYUECLW-QUZMAVINSA-N |
| MDL Number | MFCD00148939 |
| Molecular Formula | C47H54N5O8P |
| Molecular Weight | 847.9341 |
| SMILES | Cc1cn(c(=O)nc1NC(=O)c2ccccc2)[C@H]3C[C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| Synonyms | 105931-57-5,
Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-5-methyl-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite],
J3.584.924F,
N-Benzoyl-5-methyl-3'-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine,
N4-Benzoyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite,
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-5-methyl-cytidine 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite],
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| Complexity | 1490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 847.371001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 61 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 847.9g/mol |
| Monoisotopic Mass | 847.371001g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 144Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
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Certificate of Analysis
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