DNA A(Me) amidite

• CAS: 105931-58-6
• Catalog Number: ACM105931586-1
• Category: Amidites
• Molecular Weight: 767.85
• Molecular Formula: C41H50N7O6P
• Synonyms: N6-Methyl-dA phosphoramidite; (2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-(methylamino)-9H-purin-9-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
• IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-(methylamino)purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
• 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)N=CN=C56)C1)OCCC#N)C
• InChI: 1S/C41H50N7O6P/c1-28(2)48(29(3)4)55(52-23-11-22-42)54-35-24-37(47-27-46-38-39(43-5)44-26-45-40(38)47)53-36(35)25-51-41(30-12-9-8-10-13-30,31-14-18-33(49-6)19-15-31)32-16-20-34(50-7)21-17-32/h8-10,12-21,26-29,35-37H,11,23-25H2,1-7H3,(H,43,44,45)/t35-,36+,37+,55?/m0/s1
• InChI Key: PTWRBAYAPDVZGR-JNTXQERPSA-N
• Storage: Keep in dark place, inert atmosphere, store in freezer, under -20°C
• Complexity: 1160
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Formal Charge: 0
• H-Bond Acceptor: 12
• H-Bond Donor: 1
• Heavy Atom Count: 55
• Isomeric SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC
• MDL Number: MFCD10686973
• PubChem ID: 86280297
• Rotatable Bond Count: 18
• Undefined Atom Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0