a-D-Glucopyranose, O-3-deoxy-a-D-manno-2-octulopyranosonosyl-(2®4)-O-3-deoxy-a-D-manno-2-octulopyranosonosyl-(2®6)-O-2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-b-D-glucopyranosyl-(1
- 中文别名：p-哌啶子基苯酚
- 中文释义：p-哌啶子基苯酚
- 英文别名：(2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4 ,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[( 2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetra decanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-oxan -2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydrox ytetradecanoyl]oxy-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid;
3-deoxy-2-octulosonic acid(2)-lipid IV(A)
- CAS No.：143600-83-3
- 分子式：C84H154N2O37P2
- 分子量：0
- 分子结构式：
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）:10.7
2.氢键供体数量:20
3.氢键受体数量:37
4.可旋转化学键数量:72
5.互变异构体数量:4
6.拓扑分子极性表面积:626
7.重原子数量:125
8.表面电荷:0
9.复杂度:3090
10.同位素原子数量:0
11.确定原子立构中心数量:24
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
