2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate · CAS 1062645-51-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
- CAS
- 1062645-51-5
- CID
- 71749395
- IUPAC 名称
- 2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
- CAS
- 1062645-51-5
- CID
- 71749395
- IUPAC 名称
- 2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
分子属性
- 分子式
- C58H95N2O17P
- 分子量
- 1123.3 g/mol
- 精确质量
- 1122.63683656 Da
- 单同位素质量
- 1122.63683656 Da
- XLogP
- 5.3
- 极性表面积
- 243 Ų
- 氢键供体
- 2
- 氢键受体
- 17
- 可旋转键
- 15
- 重原子数
- 78
- 净电荷
- 0
- 结构复杂度
- 2150
结构标识
- InChIKey
- XBFREHBEJFQNTO-MTULQZKMSA-N
- SMILES
- C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOP(=O)([O-])OCC[N+](C)(C)C)C)/C)O)OC)C)C)/C)OC
- InChI
- InChI=1S/C58H95N2O17P/c1-37-19-15-14-16-20-38(2)49(70-11)35-45-24-22-43(7)58(67,77-45)55(64)56(65)59-26-18-17-21-46(59)57(66)76-50(36-47(61)39(3)32-42(6)53(63)54(72-13)52(62)41(5)31-37)40(4)33-44-23-25-48(51(34-44)71-12)73-29-30-75-78(68,69)74-28-27-60(8,9)10/h14-16,19-20,32,37,39-41,43-46,48-51,53-54,63,67H,17-18,21-31,33-36H2,1-13H3/b16-14+,19-15+,38-20+,42-32+/t37-,39-,40-,41-,43-,44+,45+,46+,48-,49-,50+,51-,53-,54+,58-/m1/s1