1H-Imidazole-4-carbonitrile, 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-5-[(trimethylsilyl)ethynyl]-(9CI)
1H-Imidazole-4-carbonitrile, 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-5-[(trimethylsilyl)ethynyl]-(9CI) · CAS 126004-21-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1H-Imidazole-4-carbonitrile, 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-5-[(trimethylsilyl)ethynyl]-(9CI)
- CAS
- 126004-21-5
- CID
- 14803140
- IUPAC 名称
- [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[4-cyano-5-(2-trimethylsilylethynyl)imidazol-1-yl]oxolan-2-yl]methyl acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1H-Imidazole-4-carbonitrile, 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-5-[(trimethylsilyl)ethynyl]-(9CI)
- CAS
- 126004-21-5
- CID
- 14803140
- IUPAC 名称
- [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[4-cyano-5-(2-trimethylsilylethynyl)imidazol-1-yl]oxolan-2-yl]methyl acetate
分子属性
- 分子式
- C20H25N3O7Si
- 分子量
- 447.5 g/mol
- 精确质量
- 447.14617668 Da
- 单同位素质量
- 447.14617668 Da
- XLogP
- 暂无
- 极性表面积
- 130 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 834
结构标识
- InChIKey
- OURBYMJWHWPAPA-UAFMIMERSA-N
- SMILES
- CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=C2C#C[Si](C)(C)C)C#N)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C20H25N3O7Si/c1-12(24)27-10-17-18(28-13(2)25)19(29-14(3)26)20(30-17)23-11-22-15(9-21)16(23)7-8-31(4,5)6/h11,17-20H,10H2,1-6H3/t17-,18-,19-,20-/m1/s1