| CAS Number | 154110-40-4 |
| Catalog Number | AG007XRT(AGN-PC-0Q6NEP) |
| Chemical Name | Ac-dC Phosphoramidite |
| IUPAC Name | N-[1-[(2S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide |
| InChI | InChI=1S/C41H50N5O8P/c1-28(2)46(29(3)4)55(52-25-11-23-42)54-36-26-39(45-24-22-38(43-30(5)47)44-40(45)48)53-37(36)27-51-41(31-12-9-8-10-13-31,32-14-18-34(49-6)19-15-32)33-16-20-35(50-7)21-17-33/h8-10,12-22,24,28-29,36-37,39H,11,25-27H2,1-7H3,(H,43,44,47,48)/t36-,37+,39+,55?/m1/s1 |
| InChI Key | MECWEBCHRKVTNV-QQIWIMIASA-N |
| MDL Number | MFCD09842112 |
| Molecular Formula | C41H50N5O8P |
| Molecular Weight | 771.8382 |
| SMILES | CC(N(C(C)C)P(O[C@H]1[C@H](COC(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4)O[C@H](N5C=CC(NC(C)=O)=NC5=O)C1)OCCC#N)C |
| Synonyms | Ac-dC Phosphoramidite,
154110-40-4,
(2S,3R,5S)-5-(4-Acetamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite,
CTK8B4331,
DTXSID60743123,
ANW-44703,
AKOS015999119,
ZINC150342956,
TC-133448,
(2S,3R,5S)-5-(4-Acetamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite,
4-Acetamido-1-(5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one,
Ac-dC Phosphoramidite, 98% - 1G 1g,
(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-YL)-2-((BIS(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-YL 2-cyanoethy diisopropylphosphoramidite,
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| Complexity | 1320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 771.34g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 55 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 771.852g/mol |
| Monoisotopic Mass | 771.34g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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