Bz-rA Phosphoramidite

• CAS: 104992-55-4
• Catalog Number: ACM104992554-1
• Category: Amidites
• Molecular Weight: 988.19
• Molecular Formula: C53H66N7O8PSi
• Synonyms: (2R,3R,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
• IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide
• 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=NC6=C(NC(C7=CC=CC=C7)=O)N=CN=C56)[C@@H]1O[Si](C)(C(C)(C)C)C)OCCC#N)C
• InChI: 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40)41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h12-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
• InChI Key: FFXHNCNNHASXCT-RFMFGJHUSA-N
• Storage: Inert atmosphere, store in freezer, under -20°C
• Complexity: 1630
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Formal Charge: 0
• H-Bond Acceptor: 13
• H-Bond Donor: 1
• Heavy Atom Count: 70
• Isomeric SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
• MDL Number: MFCD00080297
• PubChem ID: 11355126
• Pubchem SID: 504766329
• Rotatable Bond Count: 22
• Undefined Atom Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0