Azithromycin Impurity R
Azithromycin Impurity R · CAS 161193-44-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Azithromycin Impurity R
- CAS
- 161193-44-8
- CID
- 10676426
- IUPAC 名称
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12,15-hexamethyl-4,16-dioxa-14-azabicyclo[11.2.1]hexadec-13-en-5-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Azithromycin Impurity R
- CAS
- 161193-44-8
- CID
- 10676426
- IUPAC 名称
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12,15-hexamethyl-4,16-dioxa-14-azabicyclo[11.2.1]hexadec-13-en-5-one
分子属性
- 分子式
- C37H66N2O12
- 分子量
- 730.9 g/mol
- 精确质量
- 730.46157554 Da
- 单同位素质量
- 730.46157554 Da
- XLogP
- 3
- 极性表面积
- 178 Ų
- 氢键供体
- 4
- 氢键受体
- 14
- 可旋转键
- 7
- 重原子数
- 51
- 净电荷
- 0
- 结构复杂度
- 1220
结构标识
- InChIKey
- NZDCTMQIUOEUSN-MKYKIHCTSA-N
- SMILES
- CC[C@@H]1[C@@]([C@H]2[C@H](N=C(O2)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)(C)O
- InChI
- InChI=1S/C37H66N2O12/c1-14-25-37(10,44)31-22(6)38-32(50-31)18(2)16-35(8,43)30(51-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(42)48-25)49-26-17-36(9,45-13)29(41)23(7)47-26/h18-31,34,40-41,43-44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,34+,35-,36-,37-/m1/s1