(2S,3S,4S,5R,6S)-6-{4-[(4S,7R,8S,9S,13Z,16S)-7-allyl-4-(tert-butyl-dimethyl-silanyloxy)-5,5,9,13-tetramethyl-16-(2-methyl-benzothiazol-5-yl)-2,6-dioxo-oxacyclohexadec-13-en-8-yloxycarbonyloxymethyl]-2-chloro-phenoxy}-4-hydroxy-3,5-bis-triisopropylsilanyloxy-tetrahydro-pyran-2-carboxylic acid allyl ester | 704885-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2S,3S,4S,5R,6S)-6-{4-[(4S,7R,8S,9S,13Z,16S)-7-allyl-4-(tert-butyl-dimethyl-silanyloxy)-5,5,9,13-tetramethyl-16-(2-methyl-benzothiazol-5-yl)-2,6-dioxo-oxacyclohexadec-13-en-8-yloxycarbonyloxymethyl]-2-chloro-phenoxy}-4-hydroxy-3,5-bis-triisopropylsilanyloxy-tetrahydro-pyran-2-carboxylic acid allyl ester
• 英文别名: prop-2-enyl (2S,3S,4S,5R,6S)-6-[4-[[(4S,7R,8S,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,9,13-tetramethyl-16-(2-methyl-1,3-benzothiazol-5-yl)-2,6-dioxo-7-prop-2-enyl-1-oxacyclohexadec-13-en-8-yl]oxycarbonyloxymethyl]-2-chlorophenoxy]-4-hydroxy-3,5-bis[tri(propan-2-yl)silyloxy]oxane-2-carboxylate
• CAS: 704885-66-5
• 化学式: C₇₁H₁₁₂ClNO₁₄SSi₃
• 分子量: 1355.44
• InChiKey: BYZFWDOGNGXTPF-DUFODIQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.6
• 重原子数：
  91
• 可旋转键数：
  27
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  213
• 氢给体数：
  1
• 氢受体数：
  16