化学品概述
可燃; 受热产生有毒氮氧化物烟雾
基本信息
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中文名称:
扁桃苷
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中文别名:
苦杏仁苷单水合物;扁桃苷;D(-)-苦杏仁水合物;苦杏仁苷;苦杏仁素;D-苦杏苷水合物;杏仁素;苦杏仁甙
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英文名称:
Amygdalin
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英文别名:
(r)-alpha-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)benzeneaceto;(r)-alpha-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)benzeneacetonit;(r)-oxy);(r)-y);amygdaloside;benzeneacetonitrile,alpha-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl);benzeneacetonitrile,alpha-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)ox;d(-)-mandelonitrile-beta-d-gentiobioside
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分子式:
C20H27NO11
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分子量:
457.42848 [g/mol]
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CAS:
29883-15-6
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EINECS编号:
249-925-3
- MDL编号:
-
精确质量:
457.158411
- InChI:
- InChI Key:
-
MOL文件:
/Mol/29883-15-6.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
-
外观性质:
Powder;White to Off-white
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熔点:
223-226 °C(lit.)
- 沸点:
- 密度:
-
折射率:
-40 ° (C=2, H2O)
-
比旋光度:
-38.5 º (c=4, H2O)
- 闪点:
- 溶解性:
-
酸度系数(pKa):
83 g/L (25 ºC)
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
-20°C
- 检测方法:
- 蒸气压:
-
Merck:
14,597
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BRN:
66856
- NIST化学物质信息:
- EPA化学物质信息:
安全信息
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危化品标志:
Xn
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危化代码:
22
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安全代码:
26-36/37/39-45-24/25
- 海关编码/HS编码:
-
危化品运输编码:
2811
-
WGK Germany:
3
-
RTECS:
OO8450000
- TSCA:
-
危化等级:
6.1(b)
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包装类别:
III
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毒理资料:
高毒
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灭火剂:
干粉、泡沫、砂土、二氧化碳
应用领域
作为一种含葡糖苷的氰化物,可以作为基质用于诸如麦芽糖酶、杏仁酪以及β-葡萄糖苷酶等的鉴别、区分与表征
制备方法/合成路线
参考资料
- The name amygdalin is currently used interchangeably with laetrile. Cyanogenic glycoside which occurs in seeds of Rosaceae; principally in bitter almonds; also in peaches and apricots. Most common constituent of Laetrile® preparations. Structure and synthesis: W. N. Haworth, B. Wylam, J. Chem. Soc. 123, 3120 (1923); Kuhn, Ber. 56, 857 (1923); R. Campbell, W. N. Haworth, J. Chem. Soc. 125, 1337 (1924); Hudson, J. Am. Chem. Soc. 46, 483 (1924); Zemplén, Kunz, Ber. 57, 1357 (1924); Kuhn, Sobotka, ibid. 1767; Baumann, Pigman, The Carbohydrates, W. Pigman, Ed. (Academic Press, New York, 1957) p 550. Enzymic hydrolysis studies: Haisman, Knight, Biochem. J. 103, 528 (1967). The term Laetrile® has also been applied to mandelonitrile b-glucuronide. Purported prepn: E. T. Krebs, E. T. Krebs, Jr., GB 788855 (1958) and US 2985664 (1961). Synthesis, characterization and comparison of mandelonitrile b-glucuronide with amygdalin: C. Fenselau et al., Science 198, 625 (1977). Pharmacology and cyanide toxicity studies of amygdalin (laetrile): C. G. Moertel et al., J. Am. Med. Assoc. 245, 591 (1981); M. M. Ames et al., Cancer Chemother. Pharmacol. 6, 51 (1981). Pharmacokinetics: A. G. Rauws et al., Arch. Toxicol. 49, 311 (1982). Determn methods in tissues and fluids: J. Balkon, J. Anal. Toxicol. 6, 244 (1982). Amygdalin (laetrile) is a toxic drug that is not effective as a cancer treatment: C. G. Moertel et al., N. Engl. J. Med. 306, 201 (1982). Review of the controversial use of amygdalin (laetrile): V. Herbert, Am. J. Clin. Nutr. 32, 1121-1158 (1979).
- MSDS
图谱
计算化学数据
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疏水参数计算参考值(XlogP):
-2.7
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氢键供体数量 :
7
-
氢键受体数量:
12
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可旋转化学键数量:
7
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拓扑分子机型表面积(TPSA) :
202
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重原子数量:
32
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形式电荷:
0
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复杂度:
638
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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:
10
-
不确定原子立构中心数量:
1
-
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