3-吲哚基-beta-D-葡糖苷酸环己胺盐 | 35804-66-1
3-吲哚基-beta-D-葡糖苷酸环己胺盐
3-Indoxyl-beta-D-glucuronic acid cyclohexylammonium salt
35804-66-1
C14H15NO7.C6H13N
408.45
名称和标识符
MDL |
MFCD06798212 |
InChIKey |
KUYNOZVWCFXSNE-UHFFFAOYSA-N |
Inchi |
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20) |
SMILES |
OC(C1OC(OC2=CNC3=CC=CC=C23)C(O)C(O)C1O)=O |
别名信息
- 中文别名 -
- 3-吲哚基-beta-D-葡糖苷酸环己胺盐
- (3-吲哚基)-β-D-葡糖苷酸环己铵盐
- 3 -吲哚基-β-D-吡喃葡萄糖醛酸环己铵盐
- 3-吲哚基-β-D-吡喃葡萄糖苷酸环己胺盐
- 3-吲哚基-Beta-D-吡喃葡萄糖苷酸环己胺盐
- 英文别名 -
- 3-Indoxyl-beta-D-glucuronic acid cyclohexylammonium salt
- 3-Indoxyl-beta-D-glucuronide cyclohexylammonium salt
- Indoxyl β-D-glucuronide cyclohexylammonium salt
- Y-beta-D-GlcUA*CHX
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydro-2H-pyran-2-carboxylate (non-preferred name)
- 1H-indol-3-yl beta-D-glucopyranosiduronic acid
- 1H-indol-3-yl hexopyranosiduronic acid
- Indoxyl-Glucuronide
- 3-Indolyl-
- Inodxyl glucuronide
- CS-0059396
- INDOXYL-BETA-GLUCURONIDE
- 35804-66-1
- (2S,3S,4S,5R,6S)-6-((1H-Indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- SCHEMBL155476
- beta-D-Glucopyranosiduronic acid, 1H-indol-3-yl
- CHEMBL2074589
- A-D-glucuronide
- Indoxyl-beta-D-glucuronide
- NS00014984
- HY-113245
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid
- Indoxyl glucuronide
- 3-Indolyl--D-glucuronide
- 3-Indolyl-beta-D-glucuronide
- DTXSID20957188
- CHEBI:145223
物化性质
实验特性
LogP |
-0.56110 |
PSA |
132.24000 |
沸点 |
669°Cat760mmHg |
闪点 |
358.4°C |
颜色与性状 |
无可用 |
溶解性 |
无可用 |
密度 |
1.693 |
计算特性
精确分子量 |
309.08500 |
氢键供体数量 |
4 |
氢键受体数量 |
7 |
可旋转化学键数量 |
2 |
同位素质量 |
408.19 |
重原子数量 |
22 |
复杂度 |
415 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
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 |
1 |
疏水参数计算参考值(XlogP) |
0.8 |
表面电荷 |
-1 |
拓扑分子极性表面积 |
135 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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