化学品概述
基本信息
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中文名称:
水杨甙
-
中文别名:
水杨甙;水杨苷;D(-)-水杨苷;D(-)-水杨素;水杨素;水杨素糖;水杨糖;水扬苷
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英文名称:
2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside
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英文别名:
SALICYLALDEHYDE-B-D-GLUCOSIDE;SALICYLALCOHOL BETA-D-GLUCOSIDE;SALICYL ALCOHOL GLUCOSIDE;SALICOSIDE;SALICIN;SALIGENIN-B-D-GLUCOSIDE;SALIGENIN-B-D-GLYCOPYRANOSIDE;WHITE WILLOW
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分子式:
C13H18O7
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分子量:
286.27782 [g/mol]
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CAS:
138-52-3
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EINECS编号:
205-331-6
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MDL编号:
MFCD00006590
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精确质量:
286.105253
- InChI:
- InChI Key:
-
MOL文件:
138-52-3.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
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外观性质:
Fine Crystalline Powder;White
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熔点:
196-202 °C
- 沸点:
- 密度:
-
折射率:
-62 ° (C=3, H2O)
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比旋光度:
-61.5 º (c=5, water)
- 闪点:
- 溶解性:
-
酸度系数(pKa):
36 g/L (15 ºC), 250 g/L (60 ºC)
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
Store at RT.
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检测方法:
HPLC,NMR
- 蒸气压:
-
Merck:
14,8324
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BRN:
89593
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NIST化学物质信息:
http://webbook.nist.gov/cgi/cbook.cgi?ID=138-52-3&Units=SI
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EPA化学物质信息:
http://iaspub.epa.gov/sor_internet/registry/substreg/searchandretrieve/advancedsearch/search.do?search=?search=&searchCriteria(advancedCriteria)=casNumber=138-52-3
安全信息
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危化品标志:
Xi
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危化代码:
43
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安全代码:
36/37-37-24/25-36
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海关编码/HS编码:
29389090
- 危化品运输编码:
-
WGK Germany:
3
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RTECS:
LZ5901700
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TSCA:
Yes
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
用于解热、镇痛、抗风湿测定β-糖苷酶的底物。硝酸试剂。
制备方法/合成路线
参考资料
- Usually obtained by making hot water extracts from the ground bark of poplar (Populus) and willow (Salix); also found in the leaves and female flowers of the willow. Isoln from root bark of Viburnum prunifolium L., Caprifoliaceae: Evans et al., J. Am. Pharm. Assoc. 34, 207 (1945). Structure and synthesis: Irvine, Rose, J. Chem. Soc. 89, 814 (1906); Kunz, J. Am. Chem. Soc. 48, 262 (1926). Hydrolysis by acids: Moelwyn-Hughes, Trans. Faraday Soc. 25, 503 (1929). Enzymatic hydrolysis: Pigman, J. Res. Natl. Bur. Stand. 27, 6 (1941). Enzymatic hydrolysis in heavy water: Stacie, Z. Phys. Chem. 28B, 236 (1935).
- MSDS
图谱
计算化学数据
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疏水参数计算参考值(XlogP):
-1.2
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氢键供体数量 :
5
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氢键受体数量:
7
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可旋转化学键数量:
4
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拓扑分子机型表面积(TPSA) :
120
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重原子数量:
20
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形式电荷:
0
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复杂度:
300
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同位素原子数量:
0
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确定原子立构中心数量:
5
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不确定原子立构中心数量:
0
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确定化学键立构中心数量:
0
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不确定化学键立构中心数量:
0
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共价键单元数量:
1