(1⁹S,4Z,6E,8S,16E)-13c-acetoxy-1²-furan-2-yl-1^5,6,9c,11t-tetrahydroxy-15t-methoxy-1^7,9,4,8r,10t,12t,14c-heptamethyl-1³-phenyl-1³H-18-oxa-2-aza-1(4,9)-furo[2',3':7,8]naphtho[1,2-d]imidazola-cyclooctadecaphane-4,6,16-triene-1¹⁰,3-dione | 66780-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (1⁹S,4Z,6E,8S,16E)-13c-acetoxy-1²-furan-2-yl-1^5,6,9c,11t-tetrahydroxy-15t-methoxy-1^7,9,4,8r,10t,12t,14c-heptamethyl-1³-phenyl-1³H-18-oxa-2-aza-1(4,9)-furo[2',3':7,8]naphtho[1,2-d]imidazola-cyclooctadecaphane-4,6,16-triene-1¹⁰,3-dione
• 英文别名: 2'-furan-2-yl-3'-phenyl-3'H-imidazo[4',5':3,4]-4-deoxy-rifamycin；Ansamycin R-127；[(9E,19E,21Z)-28-(furan-2-yl)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
• CAS: 66780-94-7
• 化学式: C₄₈H₅₃N₃O₁₂
• 分子量: 863.962
• InChiKey: NHZWNSKKYIURPD-MUACBWEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  63
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  212
• 氢给体数：
  5
• 氢受体数：
  13