1873306-74-1 ((N4-Acetyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite)

CAS号:
1873306-74-1
英文名称:
N4-Acetyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite
分子式:
C42H52N5O8P
分子量:
785.864751815796

N4-Acetyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite(1873306-74-1)名称与标识符

名称

英文别名:
DMT-5-Methyl-dC(ac) Phosphoramidite;DMT-5-Methyl-dC(ac) Phosphoramidite, configured for PerkinElmer, configured for Polygen;DMT-5-Methyl-dC(ac) Phosphoramidite, configured for ABI;N4-Acetyl-5-methyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine-3'-cyanoethyl phosphoramidite;5'-DMT-N4-Ac-5-Me-dC;N4-Acetyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite;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]acetamide;5'-O-DMT-N4-Acetyl-5-Methyl-2'-deoxycytidine 3'-CE phosphoramidite;(2R,3S,5R)-5-(4-Acetamido-5-methyl-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite;5-Methyl-dc(ac) amidite;DA-70228;N-{1-[(2R,4S,5R)-5-{[BIS(4-METHOXYPHENYL)(PHENYL)METHOXY]METHYL}-4-{[(2-CYANOETHOXY)(DIISOPROPYLAMINO)PHOSPHANYL]OXY}OXOLAN-2-YL]-5-METHYL-2-OXOPYRIMIDIN-4-YL}ACETAMIDE;1873306-74-1;F84623;MFCD11114390;AC-32404;5-Me-dC(Ac)amidite;

标识符

InChIKey:
YFUQEQDYBKCNTE-CMFYRTQUSA-N
Inchi:
1S/C42H52N5O8P/c1-28(2)47(29(3)4)56(53-24-12-23-43)55-37-25-39(46-26-30(5)40(44-31(6)48)45-41(46)49)54-38(37)27-52-42(32-13-10-9-11-14-32,33-15-19-35(50-7)20-16-33)34-17-21-36(51-8)22-18-34/h9-11,13-22,26,28-29,37-39H,12,24-25,27H2,1-8H3,(H,44,45,48,49)/t37-,38+,39+,56?/m0/s1
SMILES:
P(N(C(C)C)C(C)C)(OCCC#N)O[C@H]1C[C@H](N2C(N=C(C(C)=C2)NC(C)=O)=O)O[C@@H]1COC(C1C=CC=CC=1)(C1C=CC(=CC=1)OC)C1C=CC(=CC=1)OC

N4-Acetyl-2'-deoxy-5'-O-DMT-5-methylcytidine 3'-CE phosphoramidite(1873306-74-1)物化性质

计算特性

  • 精确分子量 : 785.35535063g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 18
  • 同位素质量 : 785.35535063g/mol
  • 重原子数量 : 56
  • 复杂度 : 1360
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.5
  • 拓扑分子极性表面积 : 144

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