Temsirolimus Acetonide
Temsirolimus Acetonide · CAS 162635-03-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Temsirolimus Acetonide
- CAS
- 162635-03-2
- CID
- 11228558
- IUPAC 名称
- [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,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] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Temsirolimus Acetonide
- CAS
- 162635-03-2
- CID
- 11228558
- IUPAC 名称
- [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,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] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
分子属性
- 分子式
- C59H91NO16
- 分子量
- 1070.3 g/mol
- 精确质量
- 1069.63378582 Da
- 单同位素质量
- 1069.63378582 Da
- XLogP
- 7.1
- 极性表面积
- 220 Ų
- 氢键供体
- 2
- 氢键受体
- 16
- 可旋转键
- 9
- 重原子数
- 76
- 净电荷
- 0
- 结构复杂度
- 2140
结构标识
- InChIKey
- YGGRYGCDSJUKRW-HNXTYUFFSA-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)OC(=O)C5(COC(OC5)(C)C)C)C)/C)O)OC)C)C)/C)OC
- InChI
- InChI=1S/C59H91NO16/c1-35-19-15-14-16-20-36(2)47(69-11)31-43-24-22-41(7)59(68,76-43)53(64)54(65)60-26-18-17-21-44(60)55(66)74-48(32-45(61)37(3)28-40(6)51(63)52(71-13)50(62)39(5)27-35)38(4)29-42-23-25-46(49(30-42)70-12)75-56(67)58(10)33-72-57(8,9)73-34-58/h14-16,19-20,28,35,37-39,41-44,46-49,51-52,63,68H,17-18,21-27,29-34H2,1-13H3/b16-14+,19-15+,36-20+,40-28+/t35-,37-,38-,39-,41-,42+,43+,44+,46-,47+,48+,49-,51-,52+,59-/m1/s1