化学品概述
基本信息
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中文名称:
那塞罗
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中文别名:
那塞罗;拉沙洛西;沙拉里霉素;拉沙洛菌素溶液, 100PPM
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英文名称:
Lasalocid
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英文别名:
Lasalocid;[2R-[2alpha[2S*(3R*,4S*,5S*,7R*)3S*,5S*],5alpha,6beta]]-6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-3-methylsalicylic acid;Benzoic acid, 6-(3R,4S,5S,7R)-7-(2S,3S,5S)-5-ethyl-5-(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yltetrahydro-3-methyl-2-furanyl-4-hydroxy-3,5-dimethyl-6-oxononyl-2-hydroxy-3-methyl-;Lasalocid A;25999-20-6 (Sodium salt);6-{7-[(5S)-5-((6S,5R)-5-Ethyl-5-hydroxy-6-me
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分子式:
C34H54O8
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分子量:
590.78776 [g/mol]
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CAS:
25999-31-9
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EINECS编号:
247-401-9
- MDL编号:
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精确质量:
590.381869
- InChI:
- InChI Key:
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MOL文件:
/Mol/25999-31-9.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
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熔点:
110-114°; mp 100-109° (unsharp)
- 沸点:
- 密度:
- 折射率:
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比旋光度:
D25 -7.55° (methanol)
- 闪点:
- 溶解性:
- 酸度系数(pKa):
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
- 储存条件:
- 检测方法:
- 蒸气压:
- Merck:
- BRN:
- NIST化学物质信息:
- EPA化学物质信息:
安全信息
- 危化品标志:
- 危化代码:
- 安全代码:
- 海关编码/HS编码:
- 危化品运输编码:
- WGK Germany:
- RTECS:
- TSCA:
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
制备方法/合成路线
参考资料
- Ionophorous (transport-inducing) antibiotic isolated from an unidentified Streptomyces from soil samples of Hyde Park, Mass.: Berger et al., J. Am. Chem. Soc. 73, 5295 (1951). Prepn and activity of title compd and derivs: A. Stempel, J. Westley, DE 2040998; eidem, US 3715372 (1971, 1973 to Hoffmann-La Roche); Westley et al., J. Med. Chem. 16, 397 (1973). Structure: eidem, Chem. Commun. 1970, 71. Crystal and molecular structure studies: Johnson et al., ibid. 72; J. Am. Chem. Soc. 92, 4428 (1970). Total synthesis: T. Nakata et al., ibid. 100, 2933 (1978); R. E. Ireland et al., ibid. 102, 1155 (1980). Complete assignment of 13C-NMR spectra of lasalocid A and its sodium salt: H. Seto et al., J. Antibiot. 31, 289 (1978). Effect in coccidiosis: G. M. J. Horton, P. H. G. Stockdale, Am. J. Vet. Res. 42, 433 (1981). Biosynthesis: Westley et al., Chem. Commun. 1970, 1467; C. R. Hutchinson et al., J. Am. Chem. Soc. 103, 5953, 5956 (1981). Mode of action studies: Lin, Kun, Biochem. Biophys. Res. Commun. 50, 820 (1973). Isoln and structure of four homologs, lasalocids B, C, D, E from Streptomyces lasaliensis: J. W. Westley et al., J. Antibiot. 27, 744 (1974).
- MSDS
图谱
计算化学数据
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疏水参数计算参考值(XlogP):
6.4
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氢键供体数量 :
4
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氢键受体数量:
8
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可旋转化学键数量:
13
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拓扑分子机型表面积(TPSA) :
134
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重原子数量:
42
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形式电荷:
0
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复杂度:
910
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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
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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