阿法依泊汀
Epoetin Alfa · CAS 113427-24-0
- 中文名
- 阿法依泊汀
- 中文别名
- 暂无
- 英文名
- Epoetin Alfa
- CAS
- 113427-24-0
- CID
- 92043599
- IUPAC 名称
- (4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4R,5S,6R)-5-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
名称与编号
- 中文名
- 阿法依泊汀
- 中文别名
- 暂无
- 英文名
- Epoetin Alfa
- CAS
- 113427-24-0
- CID
- 92043599
- IUPAC 名称
- (4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4R,5S,6R)-5-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
分子属性
- 分子式
- C42H73NO16
- 分子量
- 848 g/mol
- 精确质量
- 847.49293524 Da
- 单同位素质量
- 847.49293524 Da
- XLogP
- 0.8
- 极性表面积
- 236 Ų
- 氢键供体
- 7
- 氢键受体
- 17
- 可旋转键
- 10
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1370
结构标识
- InChIKey
- CJKGNDLRMLFWEX-IUJNAFBCSA-N
- SMILES
- C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCO)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)O
- InChI
- InChI=1S/C42H73NO16/c1-22-18-27(16-17-44)36(59-40-34(47)33(43(8)9)35(24(3)56-40)58-32-21-42(7,51)39(49)26(5)55-32)37(52-10)28(45)19-30(46)53-23(2)14-12-11-13-15-29(22)57-31-20-41(6,50)38(48)25(4)54-31/h11-13,15,22-29,31-40,44-45,47-51H,14,16-21H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,27+,28-,29+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-/m1/s1