2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯

  • 基本信息
  • 物化性质
  • 结构与计算化学

2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯 基本信息

中文名称:
2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯 
中文别名:
2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯;
[(2R,3R,4R,5S)-6-fluoro-5-hydroxy-2-[[(3S)-3-hydroxytetradecanoyl]amino]-1-oxo-4-phosphonooxyhexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate 
英文名称:
D-Glucose,2,6-dideoxy-6-fluoro-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogenphosphate) 3-[3-[(1-oxotetradecyl)oxy]tetradecanoate], [2(S),3(R)]- (9CI)
英文别名:
[(2R,3R,4R,5S)-6-fluoro-5-hydroxy-2-[[(3S)-3-hydroxytetradecanoyl]amino]-1-oxo-4-phosphonooxyhexan-3-yl] (3R)-3-tetradecanoyloxytetradecanoate;
6-Fluoro gla-60;
D-Glucose,2,6-dideoxy-6-fluoro-3-((3-hydroxy-1-oxotetradecyl)amino)-,4-(dihydrogen phosphate)3-(3-((1-oxotetradecyl)oxy)tetradecanoate),(2(S),3(R));
2,6-Dideoxy-6-fluoro-2-(3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranose 4-(dihydrogen phosphate) 
CAS No.:
138527-42-1
分 子 式:
C48H91FNO12P
分 子 量:
0
精确分子量:
923.62600
PSA:
219.29000
分子结构式:
SDS:
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2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯 物化性质

密度:
1.075g/cm3
折射率:
1.485

2-氨基-3-[(2,6-二氨基-2,3,4,6,7-五脱氧七吡喃糖基)氧代]-4-羟基-6-甲氧基-5-(甲基氨基)环己基甲磺酸酯 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):13.7

2.氢键供体数量:5

3.氢键受体数量:13

4.可旋转化学键数量:48

5.互变异构体数量:4

6.拓扑分子极性表面积:206

7.重原子数量:63

8.表面电荷:0

9.复杂度:1180

10.同位素原子数量:0

11.确定原子立构中心数量:6

12.不确定原子立构中心数量:0

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

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