nitrile compound | 442663-56-1
中文名称
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中文别名
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英文名称
nitrile compound
英文别名
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CAS
442663-56-1
化学式
C48H56Cl3N3O9Si
mdl
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分子量
953.432
InChiKey
LKDBKEWMDSZKGA-RHLPRWGDSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：897.6±65.0 °C(Predicted)
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密度：1.34±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：10.31
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重原子数：64.0
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可旋转键数：14.0
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环数：7.0
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sp3杂化的碳原子比例：0.46
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拓扑面积：132.18
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氢给体数：1.0
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氢受体数：11.0
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 442663-55-0 C47H55Cl3N2O10Si 942.406 —— 2,2,2-trichloroethyl (1R,9S,12R)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(1R)-2-hydroxy-1-(6-hydroxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 442663-54-9 C40H49Cl3N2O10Si 852.281 —— (3R,5R,6R,12S,12aS)-2,2,2-trichloroethyl 7-(benzyloxy)-3-[6-(benzyloxy)-7-methylbenzo[d][1,3]dioxol-4-yl]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-8-methoxy-9-methyl-3,5,6,11,12,12a-hexahydro-2H-6,12-epiminobenzo[e]oxazolo[3,2-a]azocine-13-carboxylate 442663-35-6 C47H55Cl3N2O9Si 926.406 —— silanylether 442663-53-8 C44H53Cl3N2O12Si 936.356 —— 2,2,2-trichloroethyl (1R,9S,12R)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-12-(hydroxymethyl)-4-methoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 442663-34-5 C38H39Cl3N2O12 822.093 —— (1R,9S)-11-[(R)-2-Acetoxy-1-(6-acetoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-benzyloxy-4-methoxy-5-methyl-12-methylene-10-oxo-11,13-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylic acid 2,2,2-trichloro-ethyl ester 442663-52-7 C38H37Cl3N2O11 804.078 —— tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 442663-51-6 C40H44N2O11 728.796 —— tert-butyl (1R,9S)-11-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-4-methoxy-5-methyl-12-methylidene-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 442663-32-3 C39H44N2O12S 764.851 —— tert-butyl N-[(2S)-1-[[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-3-(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-1-oxopropan-2-yl]carbamate 442663-29-8 C61H72IN3O12Si 1194.25 —— tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3,6-dioxopiperazine-1-carboxylate 442663-50-5 C39H45IN2O13S 908.762 —— tert-butyl (2S)-4-[(1R)-2-acetyloxy-1-(7-methyl-6-methylsulfonyloxy-1,3-benzodioxol-4-yl)ethyl]-2-[(2-iodo-4-methoxy-5-methyl-3-phenylmethoxyphenyl)methyl]-5-methyl-3-oxo-2H-pyrazine-1-carboxylate 442663-31-2 C39H45IN2O12S 892.763 —— Acetic acid (R)-2-{[(S)-3-(3-benzyloxy-2-iodo-4-methoxy-5-methyl-phenyl)-2-tert-butoxycarbonylamino-propionyl]-[1-(4-methoxy-phenylcarbamoyl)-ethyl]-amino}-2-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl ester 442663-48-1 C47H56IN3O13 997.878 —— tert-butyl ((2S)-3-(3-(benzyloxy)-2-iodo-4-methoxy-5-methylphenyl)-1-(((R)-2-hydroxy-1-(6-(methoxymethoxy)-7-methylbenzo[d][1,3]dioxol-4-yl)ethyl)(1-((4-methoxyphenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)carbama