DMT-dC(ac) Phosphoramidite

• CAS: 154110-40-4
• Catalog Number: ACM154110404-1
• Category: Amidites
• Molecular Weight: 771.84
• Molecular Formula: C41H50N5O8P
• Synonyms: (2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
• 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
• SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H](C[C@@](N1C(N=C(C=C1)NC(C)=O)=O)([H])O2)[C@H]2COC(C3=CC=C(C=C3)OC)(C4=CC=CC=C4)C5=CC=C(C=C5)OC
• 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
• Storage: Inert atmosphere, store in freezer, under -20°C
• Complexity: 1320
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Formal Charge: 0
• H-Bond Acceptor: 10
• 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=CC(=NC5=O)NC(=O)C
• MDL Number: MFCD09842112
• PubChem ID: 70700205
• Pubchem SID: 488202156
• Rotatable Bond Count: 18
• Undefined Atom Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0