D-Gluconic acid, O-a-D-galactopyranosyl-(1®6)-O-a-D-galactopyranosyl-(1®6)-, monopotassium salt (9CI) | 122871-01-6
D-Gluconic acid, O-a-D-galactopyranosyl-(1®6)-O-a-D-galactopyranosyl-(1®6)-, monopotassium salt (9CI)
122871-01-6
C18H31O17-.K+
558.52684
名称和标识符
InChIKey |
JDHOBIWORAZQQR-WDKREWJJSA-M |
Inchi |
InChI=1S/C18H32O17.K/c19-1-4(22)7(23)14(34-17-12(28)10(26)8(24)5(2-20)32-17)15(16(30)31)35-18-13(29)11(27)9(25)6(3-21)33-18;/h4-15,17-29H,1-3H2,(H,30,31);/q;+1/p-1/t4-,5-,6-,7-,8+,9+,10+,11+,12-,13-,14+,15-,17-,18-;/m1./s1 |
SMILES |
[K+].OC[C@H]([C@H]([C@@H]([C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C([O-])=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O)O |
别名信息
- 英文别名 -
- manninotrionate
- potassium,(2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanoate
- 6)-, monopotassium salt (9CI)
- 6)-O-a-D-galactopyranosyl-(1®
- alpha-D-Galactopyranosyl-(1-6)-alpha-D-galactopyranosyl-(1-6)-D-gluconate
- D-Gluconic acid, O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-, monopotassium salt
- O-alpha-D-Galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-D-gluconic acid monopotassium salt
- potassium (2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexanoate (
- DTXSID70153759
- potassium
- (2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanoate
- 122871-01-6
- Manninotrionate
物化性质
实验特性
计算特性
精确分子量 |
558.11973 |
氢键供体数量 |
11 |
氢键受体数量 |
17 |
可旋转化学键数量 |
11 |
同位素质量 |
558.11983100g/mol |
重原子数量 |
36 |
复杂度 |
674 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
14 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
2 |
拓扑分子极性表面积 |
300Ų |
D-Gluconic acid, O-a-D-galactopyranosyl-(1®6)-O-a-D-galactopyranosyl-(1®6)-, monopotassium salt (9CI)推荐生产厂家