(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(((dimethylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite

(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(((dimethylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite · CAS 128219-77-2

中文名: 暂无
中文别名: 暂无
英文名: (2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(((dimethylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
CAS: 128219-77-2
CID: 135742510
IUPAC 名称: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: (2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(((dimethylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
CAS: 128219-77-2
CID: 135742510
IUPAC 名称: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide

分子属性

分子式: C44H55N8O8P
分子量: 854.9 g/mol
精确质量: 854.38804774 Da
单同位素质量: 854.38804774 Da
XLogP: 5.1
极性表面积: 167 Å²
氢键供体: 1
氢键受体: 12
可旋转键: 20
重原子数: 61
净电荷: 0
结构复杂度: 1460

结构标识

InChIKey: ZGDBCILCTOHNAB-OWKWDSSOSA-N
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C2N=C(NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI: InChI=1S/C44H55N8O8P/c1-29(2)52(30(3)4)61(58-25-13-24-45)60-38-36(59-42(39(38)56-9)51-28-46-37-40(51)48-43(49-41(37)53)47-27-50(5)6)26-57-44(31-14-11-10-12-15-31,32-16-20-34(54-7)21-17-32)33-18-22-35(55-8)23-19-33/h10-12,14-23,27-30,36,38-39,42H,13,25-26H2,1-9H3,(H,48,49,53)/t36-,38-,39-,42-,61?/m1/s1