b-D-Glucopyranuronic acid,1-[1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylate]
- 中文别名:4(1H)-喹啉酮,3-氯-8-氟-6-甲氧基-
- 中文释义:4(1H)-喹啉酮,3-氯-8-氟-6-甲氧基-;Moxifloxacin Acyl-b-D-glucuronide
- 英文别名:Moxifloxacin Acyl-b-D-glucuronide;
(2S,3S,4S,5R,6S)-6-(1-cyclopropyl-6-fluoro-8-Methoxy-4-oxo-7-((4aS,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-1,4-dihydroquinoline-3-carbonyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid;
1-[1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylate]-D-Glucopyranuronic Acid;
Moxifloxacin Acyl--D-glucuronide;
1-[1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylate] b-D-Glucopyranuronic Aci
- CAS No.:733002-61-4
- 分子式:C27H32FN3O10
- 分子量:0
- 精确分子量:577.20700
- PSA:180.02000
- 分子结构式:
物化性质
- 密度:
- 1.617g/cm3
- 熔点:
- 170-173ºC (dec.)
- 沸点:
- 864.649ºC at 760 mmHg
- 闪点:
- 476.723ºC
- 折射率:
- 1.69
安全信息
- 密度:
- 1.617g/cm3
- 熔点:
- 170-173ºC (dec.)
- 沸点:
- 864.649ºC at 760 mmHg
- 闪点:
- 476.723ºC
- 折射率:
- 1.69
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):-1.5
2.氢键供体数量:5
3.氢键受体数量:14
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积:178
7.重原子数量:41
8.表面电荷:0
9.复杂度:1090
10.同位素原子数量:0
11.确定原子立构中心数量:4
12.不确定原子立构中心数量:3
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1